Molecular dynamics simulations are performed to study the diffusion and permeation of gases, including argon, nitrogen, methane, carbon dioxide, and propane, in polystyrene over a wide range of temperatures. A jumping mechanism is observed for the diffusion of diffusants in polymer. The calculated d
Molecular dynamics simulation and theoretical analysis of carbon diffusion in cementite
β Scribed by E.V. Levchenko; A.V. Evteev; I.V. Belova; G.E. Murch
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 433 KB
- Volume
- 57
- Category
- Article
- ISSN
- 1359-6454
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β¦ Synopsis
Carbon diffusion in cementite is explored using molecular dynamics simulation. An assumption wherein carbon atoms interact with each other only indirectly via neighbouring iron atoms is used. An interstitial mechanism of carbon diffusion in cementite is revealed.
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