A multiscale modeling technique for bridging molecular dynamics with finite element method
نویسندگان
چکیده
Article history: Received 1 March 2013 Accepted 30 June 2013 Available online 12 July 2013
منابع مشابه
Dynamics of Macro–Nano Mechanical Systems; Fixed Interfacial Multiscale Method
The continuum based approaches don’t provide the correct physics in atomic scales. On the other hand, the molecular based approaches are limited by the length and simulated process time. As an attractive alternative, this paper proposes the Fixed Interfacial Multiscale Method (FIMM) for computationally and mathematically efficient modeling of solid structures. The approach is applicable to mult...
متن کاملInvestigation of Vacancy Defects on the Young’s Modulus of Carbon Nanotube Reinforced Composites in Axial Direction via a Multiscale Modeling Approach
In this article, the influence of various vacancy defects on the Young’s modulus of carbon nanotube (CNT) - reinforcement polymer composite in the axial direction is investigated via a structural model in ANSYS software. Their high strength can be affected by the presence of defects in the nanotubes used as reinforcements in practical nanocomposites. Molecular structural mechanics (MSM)/finite ...
متن کاملMULTISCALE MODELING OF DAMAGE PROCESSES IN fcc ALUMINUM: FROM ATOMS TO GRAINS
Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics...
متن کاملultiscale molecular modeling in nanostructured material design and process
Atomistic-based simulations such as molecular mechanics, molecular dynamics, and Monte Carlo-based methods have come into wide use for material design. Using these atomistic simulation tools, we can analyze molecular structure on the scale of 0.1–10 nm. However, difficulty arises concerning limitations of the time and length scale involved in the simulation. Although a possible molecular struct...
متن کاملVibration Analysis of Circular Single-Layer Graphene Sheet Using Finite Element Method
Graphene sheets are combined of Honeycombs lattice carbon-carbon bonds which have high natural frequencies, high strength, and high conductivity. Due to important applications of the graphene sheets particularly at higher frequencies, the study of their dynamic behavior is important in this frequency range. From Molecular Dynamics (MD) point of view as the dimensions of graphene sheet incline, ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- J. Comput. Physics
دوره 253 شماره
صفحات -
تاریخ انتشار 2013