Carbon Diffusion in Cementite: A Molecular Dynamics Study

نویسندگان
چکیده

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

Molecular Dynamics Study of Carbon Diffusion in Cementite

1. Introduction Although cementite (Fe 3 C) is a most important phase in steels, at the same time, there is very little known in regard to the fundamental properties of Fe 3 C. This lack of information is largely a result of this compound being metastable with respect to its decomposition products: C-saturated ferrite or austenite (depending on temperature) and graphite. It is very difficult to...

متن کامل

Effects of Aluminum Incorporation in Tobermorite Structure on Chloride Diffusion: A Molecular Dynamics Simulation Study

In this paper, the effects of different aluminum to silicon ratios in silicate chains of calcium silicate hydrates (C-S-H) are evaluated on the diffusion coefficient of chloride ions by molecular dynamics method. Tobermorite is a crystalline phase that is used for studying C-S-H properties in nano scale, because of its analogous chemical composition to C-S-H. Aluminum incorporation in C-S-H and...

متن کامل

Adaptive-boost molecular dynamics simulation of carbon diffusion in iron

We have developed an accelerated molecular dynamics (MD) method to model atomic-scale rare events. In this method, a smooth histogram of collective variables is first estimated by canonical ensemble molecular dynamics calculations, and then a temperature-dependent boost potential is iteratively constructed to accelerate the MD simulation. This method not only allows us to observe the rare event...

متن کامل

Diffusion of Methanol in Zeolites: a Molecular Dynamics Study

Methanol is an important feedstock in numerous catalytic processes. It can be produced via Fischer-Tropsch reaction from synthesis gas [1] and its further transformation to hydrocarbons up to C10 is the basis of several industrially important reactions as for instance the Methanol to Gasoline process [2]. Methanol can also be used as an alkylating agent for aromatic compounds in zeolite-catalys...

متن کامل

Molecular dynamics studies of straight-chain alkanes diffusion in SiO2 ceramic versus Bosanquet formula

Molecular Dynamics (MD) simulations were applied to calculate self-diffusion coefficients (Di ) and heats of adsorption for ethane, propane and n-butane. The simulations were done in temperature range of 300-525 K for various concentrations inside the pores of silicalite type zeolite. The calculated values of self-diffusion coefficients and heats of adsorption resulted from the current wo...

متن کامل

ذخیره در منابع من


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

ژورنال

عنوان ژورنال: Defect and Diffusion Forum

سال: 2009

ISSN: 1662-9507

DOI: 10.4028/www.scientific.net/ddf.283-286.24