Computational Nano-mechanics and Multi-scale Simulation
نویسندگان
چکیده
This article provides a review of the computational nanomechanics, from the ab initio methods to classical molecular dynamics simulations, and multitemporal and spatial scale simulations. The recent improvements and developments are briefly discussed. Their applications in nanomechanics and nanotubes are also summarized.
منابع مشابه
Application of Nano-Contact Mechanics Models in Manipulation of Biological Nano-Particle: FE Simulation
Contact mechanics is related to the deformation study of solids that meet each other at one or more points. The physical and mathematical formulation of the problem is established upon the mechanics of materials and continuum mechanics and focuses on computations involving bodies with different characteristics in static or dynamic contact. Contact mechanics gives essential information for the s...
متن کاملMultiscale Analysis and Design in Heterogeneous Systems
In computational quantum steel design of CyberSteel 2020, we need to combine material science, quantum physics, and continuum mechanics with multiscale analysis. In this talk, we first give a brief review of experimental results of macroscopic observations, micro-scale voids, sub-micron scale recrystallization, and nano-scale dislocations and twins. Simulation results of each scale physics usin...
متن کاملHierarchical modeling of C and Si nano-cluster nucleation utilizing quantum and statistical mechanics
A hierarchical, multi-scale computer model for the nucleation of nano-phase materials from the vapor phase is presented. The model utilizes full solutions to quantum mechanics cluster energy equations for sizes up to 10 atoms, and statistical rate theory for larger cluster sizes. Ab initio and semi-empirical quantum mechanics methods are used to investigate the energetics of Si and C clusters. ...
متن کاملInfluences of Small-Scale Effect and Boundary Conditions on the Free Vibration of Nano-Plates: A Molecular Dynamics Simulation
This paper addresses the influence of boundary conditions and small-scale effect on the free vibration of nano-plates using molecular dynamics (MD) and nonlocal elasticity theory. Based on the MD simulations, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is used to obtain fundamental frequencies of single layered graphene sheets (SLGSs) which modeled in this paper as the mo...
متن کاملMulti-physical Modeling and Multi-scale Computation of Nano-Optical Responses
Our recent study of multi-physical modeling and multi-scale computation of nano-optical responses is presented in this paper. The semiclassical theory treats the evolution of the electromagnetic (EM) field and the motion of the charged particles concurently by coupling Maxwell equations with Quantum Mechanics. A new efficient computational framework is proposed in [1, 2] by integrating the Time...
متن کامل