✦ LIBER ✦

Diffusion of interstitial hydrogen into and through bcc Fe from first principles

✍ Scribed by Jiang, D. E.; Carter, Emily A.

Book ID: 120822596
Publisher: The American Physical Society
Year: 2004
Tongue: English
Weight: 423 KB
Volume: 70
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.70.064102

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Carbon atom adsorption on and diffusion

Carbon atom adsorption on and diffusion into Fe(110) and Fe(100) from first principles

✍ Jiang, D. E.; Carter, Emily A. 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 339 KB

Structure, energetics, and mechanical st

Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations

✍ Liu, Jefferson Z.; van de Walle, A.; Ghosh, G.; Asta, M. 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 183 KB

Effects of Co and Cr on bcc Fe grain bou

Effects of Co and Cr on bcc Fe grain boundaries cohesion from first-principles study

✍ Jia-Xiang Shang; Xiao-Dan Zhao; Fu-He Wang; Chong-Yu Wang; Hui-Bin Xu 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 425 KB

Self-diffusion and macroscopic diffusion

Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations

✍ Hao, Shiqiang; Sholl, David S. 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 323 KB

Adsorption, Diffusion, and Dissociation

Adsorption, Diffusion, and Dissociation of H 2 S on Fe(100) from First Principles

✍ Jiang, D. E.; Carter, Emily A. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 323 KB

First-principles assessment of hydrogen

First-principles assessment of hydrogen absorption into FeAl and Fe3Si: Towards prevention of steel embrittlement

✍ Donald F. Johnson; Emily A. Carter 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 582 KB

We characterize the ability of two potential surface alloys, FeAl and Fe 3 Si, to prevent H incorporation into steel, with a view toward inhibiting steel embrittlement. Periodic density functional theory calculations within the generalized gradient approximation are used to evaluate H dissolution en