Hostname: page-component-78c5997874-t5tsf Total loading time: 0 Render date: 2024-11-05T13:27:16.838Z Has data issue: false hasContentIssue false
  • English
  • Français

Effects of Alloying Elements on Iron Grain Boundary Cohesion

Published online by Cambridge University Press:  10 February 2011

X. Chen ,
D. E. Ellis  and
G. B. Olson
X. Chen
Affiliation:
Dept. of Physics & Astronomy, Northwestern University, Evanston, IL 60208
D. E. Ellis
Affiliation:
Dept. of Physics & Astronomy, Northwestern University, Evanston, IL 60208
G. B. Olson
Affiliation:
Dept. of Materials Science & Engineering, Northwestern University, Evanston, IL 60208
Get access

Extract

For a long time, understanding the mechanisms of impurity-promoted embrittlement in iron and the consequent cohesion(decohesion) effects has been a challenge for materials scientists. The role alloying elements play in impurity-promoted embrittlement is important due to either their direct intergranular cohesion(decohesion) effects or effects upon embrittling potency of other impurities. Some alloying elements like Pd and Mo are known to be helpful for intergranular cohesion in iron and some other alloying elements like Mn are known to segregate to and weaken iron grain boundaries dramatically[1]. There have been intensive investigations on these mechanisms for a long time and especially, with the progress in computing techniques in recent years, calculations on more realistic models have become possible[2–4]. In this paper we briefly present our studies on some selected alloying-element/iron grain boundaries(GB) and free surface(FS) systems. The effects of Pd, Mo, Mn and Cr on the Fe Σ5 (031) grain boundary and its corresponding (031) free surface are examined, using a combination of molecular dynamics(MD) and first-principles electronic structure calculations. Section 2 gives a brief introduction to the methods used and Section 3 gives the main results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 243
Copyright
Copyright © Materials Research Society 1998

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. McMahon, C.J. Jr, “Hydrogen Embrittlement of High-Strength Steels,” in Innovation in Ultrahigh-Strength Steel Technology. Proc. 34th Sagamore Army Research Conf., eds. Olson, G.B., Azrin, M. and Wright, E.S. (1991).Google Scholar
2. Rice, J.R. and Wang, J-S., Mat. Sci. & Eng. A107, 23(1989).Google Scholar
Anderson, P.M., Wang, J-S. and Rice, J.R., “Micromechanics of the Embrittlement of Crystal Interfaces,” in Innovation in Ultrahigh-Strength Steel Technology. Proc. 34th Sagamore Army Research Conf., eds. Olson, G.B., Azrin, M. and Wright, E.S. (1991)Google Scholar
3. Krasko, G.L. and Olson, G.B., Solid State Commun, 79, 113 (1991).Google Scholar
4. Segart, L.P., Olson, G.B. and Ellis, D.E., “Chemical Embrittlement of Iron Grain Boundaries: P and the P/Mo Couple”, Philos. Mag. A, to be published.Google Scholar
Sagert, L.P., PhD dissertation (Northwestern Univ. 1995).Google Scholar
5. Daw, M.S. and Baskes, M.I., Phys. Rev. B 29, 6443 (1984);Google Scholar
Foiles, S.M., Baskes, M.I. and Daw, M.S., Phys. Rev. B 33, 7983(1986).Google Scholar
6. Ellis, D.E., “Theory of Electronic Properties of Metal Clusters and Particles,” in Metal Cluster Compounds, ed. deJongh, L.J., (Reidel, Amsterdam, 1994).Google Scholar
7. Ellis, D.E. and Painter, G.S., Phys. Rev. B 2, 2887(1970);Google Scholar
Delley, B., Ellis, D.E., Freeman, A.J., Baerends, E.J., and Post, D., Phys. Rev. B 27, 2132(1983);Google Scholar
Guenzburger, Diana and Ellis, D.E., Phys. Rev. B 45, 285(1992).Google Scholar