modeling and simulation of nano structures with using molecular dynamics

نویسندگان

ali kafash houshyar

negin beryani

saeed daneshmand

چکیده

according to recent achievements in nano technology we can see its effects in different engineering fields. in nano manufacture process the first essential step is modeling coordinately in order to make it available different software are developing for this propose.  in this paper nano modeling for two papers is developed first understanding structure in nano and micro size and second simulations of molecular movements in nano size.  in this paper fundamental concepts of both methods are discussed and matlab based software is developed for this purpose. in first step cubic and cylindrical shapes are modeled by the software then some simulations in which temperature’s effect modeled are presented. in second part a 2d model based on molecular dynamics is presented wit using this model we can find effects of force on afm cantilever’s tip which has a great important in different nano manufacture areas.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

synthesis of amido alkylnaphthols using nano-magnetic particles and surfactants

we used dbsa and nano-magnetic for the synthesis of amido alkylnaphtols.

15 صفحه اول

detection of volatile compounds of medicinal plants with some nano-sorbents using modified or new methodologies and investigation of antioxidant activity of their methanolic extracts

in this work, a novel and fast method for direct analysis of volatile compounds (davc) of medicinal plants has been developed by holding a filament from different parts of a plant in the gc injection port. the extraction and analysis of volatile components of a small amount of plant were carried out in one-step without any sample preparation. after optimization of temperature, extraction time a...

Wettability of boron monolayer using molecular dynamics simulation method

Over the past years, two-dimensional materials such as graphene, phosphorene, silicene, and boron-nitride have attracted the attention of many researchers. After the successful synthesis of graphene, due to its many new applications, researches began to produce nanosheets from other elements, and among these elements, boron was one of the options. In the periodic table of elements, boron is ahe...

متن کامل

Thermal conductivity calculation of magnetite using molecular dynamics simulation

In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...

متن کامل

Simulation of Nano-scale Cutting with Molecular Dynamics

The simulation of nanometric cutting of copper with diamond cutting tools, with the Molecular Dynamics method is considered. A 2D model of orthogonal nano-scale cutting is presented and the influence of the depth of cut and tool rake angle on chip morphology and cutting forces is investigated. For the analysis, three different depths of cut, namely 10Å, 15Å and 20 Å and four tool rake angles, n...

متن کامل

Separation of ibuprofen drugs enantiomers by using chiral carbon nanotube with molecular dynamics simulation

Background: The separation of drug enantiomers in the pharmaceutical industry is of great importance since most organic compounds are chiral. The main purpose of this study was to calculate the binding energy of ibuprofen isomers interacting with the CNT, according to various adsorption configurations. Moreover, we have evaluated the performance of (16.4) chiral carbon nanotube for separation o...

متن کامل

منابع من

با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید


عنوان ژورنال:
international journal of advanced design and manufacturing technology

جلد ۲، شماره ۳، صفحات ۴۵-۵۵

میزبانی شده توسط پلتفرم ابری doprax.com

copyright © 2015-2023