• Corpus ID: 227012713

Nearsightedness of Crystalline Materials and Intergranular Embrittlement

@article{Rajivmoorthy2020NearsightednessOC,
  title={Nearsightedness of Crystalline Materials and Intergranular Embrittlement},
  author={Malavikha Rajivmoorthy and Timothy R. Wilson and Mark E. Eberhart},
  journal={arXiv: Materials Science},
  year={2020}
}
Our quest to design materials often envisions as a first step the conceptual decomposition of a material into meaningful atomic scale neighborhoods. The performance of the monolithic material is then seen to arise from the combined properties of these much simpler regions. It is the nearsightedness of electronic matter (NEM) principle that provides the rigorous justification for this "divide and conquer" approach. NEM asserts that a material property may be significantly affected by a… 

Figures and Tables from this paper

References

SHOWING 1-10 OF 48 REFERENCES
Bismuth-induced embrittlement of copper grain boundaries
TLDR
This study uses a combination of two state-of-the-art atomic characterization techniques and ab initio theoretical materials simulations to investigate the geometric and electronic structure of a copper grain boundary with and without bismuth.
Divide-and-Conquer Chemical Bonding Models for Materials: A Tool for Materials Design at the Electronic Level
Chemical bonding, traditionally being the language of chemists, gives a wealth of intuitive shortcuts in understanding structure, properties, and reactivity of molecules. An analogous language based
Intergranular microchemistry and stress corrosion cracking
  • C. Lea, E. D. Hondros
  • Materials Science
    Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences
  • 1981
An important contributory role of grain boundary segregation of residual impurities in the intergranular stress-corrosion cracking of carbon and low alloy steels is proposed. Experimental results are
On the correlation between grain-boundary segregation, faceting and embrittlement in Bi-doped Cu
Abstract Cu bicrystals with a ∑ = 19a {331} grain boundary, grown by the Bridgman technique, have been doped with 14, 24, 25 and 64 at.ppm Bi. After annealing between 500 and 800°C the segregation
Nearsightedness of Electronic Matter in One Dimension
The concept of nearsightedeness of electronic matter (NEM) was introduced by W. Kohn in 1996 as the physical principal underlining Yang's electronic structure alghoritm of divide and conquer. It
Effect of Mo and Pd on the grain-boundary cohesion of Fe
The effects of Mo and Pd segregation on the cohesion of the Fe $\ensuremath{\Sigma}3(111)$ grain boundary are investigated by using the first-principles full-potential linearized augmented-plane-wave
Nearsightedness of electronic matter.
  • E. Prodan, W. Kohn
  • Physics, Medicine
    Proceedings of the National Academy of Sciences of the United States of America
  • 2005
TLDR
The concept of "nearsightedness" of electrons in many-atom systems is qualitatively introduced, first sharpened for representative models of uncharged fermions moving in external potentials, and the effects of electron-electron interactions and of perturbing external charges are discussed.
Observing the 3D chemical bond and its energy distribution in a projected space.
TLDR
It is shown that delocalized metallic bonds and organic covalent bonds alike can be objectively analyzed, the formation of bonds observed, and that the crystallographic structure of simple metals can be rationalized in terms of bond bundle structure.
...
1
2
3
4
5
...