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Title: THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe

Abstract

Increased nitrogen levels have been correlated with decreased ductility and elevated ductile-to-brittle transition temperature in pressure vessel steels [1]. However, the exact role played by nitrogen in the embrittlement of steels remains unclear. Miller and Burke have reported atom probe ion microscopy findings from neutron-irradiated low-alloy pressure vessel steel showing the presence of a 1 to 2 ruonolayer thick film of Mo, N, and C at prior austenitic grain boundaries (GB's) [2], suggesting a role for nitrogen as an intergranular embrittler. It is of interest for the development of mitigation strategies whether nitrogen must combine with other impurities to form nitride precipitates in order to exert an embrittling effect. Briant et al [1] have associated the embrittling effect of N in steels exclusively with intergranular nitride formation. This association suggests that high nitrogen levels may be acceptable if nitride precipitation at grain boundaries is suppressed. To address whether precipitate formation is indeed essential to the N embrittlement process in pressure vessel steel, a computational study was undertaken to ascertain whether the presence of interstitial nitrogen alone could embrittle an Fe GB. If so, nitrogen in any form must be kept completely away from the grain boundaries, if not out ofmore » the material altogether. The effect of interstitial N on the cohesion of an Fe {Sigma}3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.« less

Authors:
Publication Date:
Research Org.:
Bettis Atomic Power Laboratory (BAPL), West Mifflin, PA
Sponsoring Org.:
USDOE
OSTI Identifier:
940235
Report Number(s):
B-T-3517
TRN: US200825%%791
DOE Contract Number:
DE-AC11-98-PN38206
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; DUCTILITY; ELECTRONIC STRUCTURE; EMBRITTLEMENT; GRAIN BOUNDARIES; IMPURITIES; INTERSTITIALS; ION MICROSCOPY; MAGNETIC MOMENTS; MITIGATION; NITRIDES; NITROGEN; PRECIPITATION; PRESSURE VESSELS; PROBES; STEELS; TRANSITION TEMPERATURE

Citation Formats

Miyoung, Kim, Geller, Clint B., Freeman, A.F. THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe. United States: N. p., 2003. Web. doi:10.2172/940235.
Miyoung, Kim, Geller, Clint B., Freeman, A.F. THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe. United States. doi:10.2172/940235.
Miyoung, Kim, Geller, Clint B., Freeman, A.F. Mon . "THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe". United States. doi:10.2172/940235. https://www.osti.gov/servlets/purl/940235.
@article{osti_940235,
title = {THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe},
author = {Miyoung, Kim, Geller, Clint B., Freeman, A.F.},
abstractNote = {Increased nitrogen levels have been correlated with decreased ductility and elevated ductile-to-brittle transition temperature in pressure vessel steels [1]. However, the exact role played by nitrogen in the embrittlement of steels remains unclear. Miller and Burke have reported atom probe ion microscopy findings from neutron-irradiated low-alloy pressure vessel steel showing the presence of a 1 to 2 ruonolayer thick film of Mo, N, and C at prior austenitic grain boundaries (GB's) [2], suggesting a role for nitrogen as an intergranular embrittler. It is of interest for the development of mitigation strategies whether nitrogen must combine with other impurities to form nitride precipitates in order to exert an embrittling effect. Briant et al [1] have associated the embrittling effect of N in steels exclusively with intergranular nitride formation. This association suggests that high nitrogen levels may be acceptable if nitride precipitation at grain boundaries is suppressed. To address whether precipitate formation is indeed essential to the N embrittlement process in pressure vessel steel, a computational study was undertaken to ascertain whether the presence of interstitial nitrogen alone could embrittle an Fe GB. If so, nitrogen in any form must be kept completely away from the grain boundaries, if not out of the material altogether. The effect of interstitial N on the cohesion of an Fe {Sigma}3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.},
doi = {10.2172/940235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Sep 22 00:00:00 EDT 2003},
month = {Mon Sep 22 00:00:00 EDT 2003}
}

Technical Report:

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  • The energetics and length scales associated with the interaction between point defects (vacancies and self-interstitial atoms) and grain boundaries in bcc Fe was explored. Molecular statics simulations were used to generate a grain boundary structure database that contained {approx}170 grain boundaries with varying tilt and twist character. Then, vacancy and self-interstitial atom formation energies were calculated at all potential grain boundary sites within 15 {angstrom} of the boundary. The present results provide detailed information about the interaction energies of vacancies and self-interstitial atoms with symmetric tilt grain boundaries in iron and the length scales involved with absorption of these pointmore » defects by grain boundaries. Both low- and high-angle grain boundaries were effective sinks for point defects, with a few low-{Sigma} grain boundaries (e.g., the {Sigma}3{l_brace}112{r_brace} twin boundary) that have properties different from the rest. The formation energies depend on both the local atomic structure and the distance from the boundary center. Additionally, the effect of grain boundary energy, disorientation angle, and {Sigma} designation on the boundary sink strength was explored; the strongest correlation occurred between the grain boundary energy and the mean point defect formation energies. Based on point defect binding energies, interstitials have {approx}80% more grain boundary sites per area and {approx}300% greater site strength than vacancies. Last, the absorption length scale of point defects by grain boundaries is over a full lattice unit larger for interstitials than for vacancies (mean of 6-7 {angstrom} versus 10-11 {angstrom} for vacancies and interstitials, respectively).« less
  • Grain growth kinetics of SIALON grains during hot pressing were studied. Microchemical analysis work has also been carried out. The decrease of K/sub IC/ value with and increasing amount of YAG in the annealed specimens in the system SIALON-YAG can be attributed to the higher thermal expansion coefficient of the YAG than that of the SIALON crystals. The YAG crystals at the grain boundaries which crystallized at high temperatures during annealing contracted more than the SIALON grains during cooling and tension were generated at the interfaces. Cordierite has a lower thermal expansion coefficient than that of the SIALON crystals. Themore » system SIALON-cordierite was then studied. It was found that the toughness of the ceramics in the system SIALON-cordierite increased upon annealing treatments. Bulk glasses in the system SIALON-cordierite were also prepared. The glass formation and crystallization behavior in this system were studied. The results of the above studies are reported in the following sections: the microchemical analysis of the grain and grain boundary phases in the system SIALON-YAG; grain growth kinetics of ..beta.. grains in the system SIALON-YAG; high temperature mechanical property measurements; the system SIALON-cordierite; and glass formation in the system SIALON-cordierite.« less
  • Boron is added to nickel-base superalloys such as Alloy X-750 in order to enhance high temperature strength and ductility so that the alloy may be more easily hot worked[1]. Boron additions also have been shown to ameliorate intergranular hydrogen embrittlement in nickel[2], and to improve the high temperature resistance of Alloy X-750 to aqueous stress corrosion cracking (SCC) in the absence of irradiation[3]. Recent quantum mechanical calculations demonstrate that boron strengthens grain boundaries in pure nickel[4], and may contribute to the observed benefits of boron on workability and fracture resistance of nickel alloys. Alloy X-750 exhibits greater susceptibility to intergranularmore » stress corrosion cracking (IGSCC) when irradiated[5], and it has been proposed that the presence of grain boundary helium and/or lithium is responsible. Arguments have been advanced that helium embrittlement of the grain boundaries is primarily responsible for the greater observed susceptibility to IGSCC in irradiated X-750[1]. Alternatively, it has been proposed that lithium promotes IGSCC either by entering the water at the crack tip and lowering the local pH, or by inducing a restructuring of the grain boundary itself[1]. Direct embrittlement of grain boundaries by lithium also has been investigated by ion bombardment in Nimonic PE16, illustrating that under certain conditions lithium can produce degrees of embrittlement in nickel comparable to that produced by helium[6]. It is important to understand the relative roles of these species in grain boundary embrittlement in nickel alloys so that better predictive abilities and mitigation strategies can be developed. Toward that end, quantum mechanical calculations have been performed to investigate the influence of isolated lithium and helium atoms on the cohesive strength of an ideal grain boundary in pure nickel.« less
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