TITLE

Chemical softness and impurity segregation at grain boundaries

AUTHOR(S)
Dal Pino, A.; Galván, M.; Arias, T. A.; Joannopoulos, J. D.
PUB. DATE
January 1993
SOURCE
Journal of Chemical Physics;1/15/1993, Vol. 98 Issue 2, p1606
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We analyze the process of impurity segregation at grain boundaries as a chemical reaction between the impurity and the interface. From this point of view, we test the ability of the concepts of local softness and hardness to predict the most probable sites for impurity accumulation. As a test, an ab initio investigation of the ∑=5 tilt [310] grain boundary in germanium is presented and the energetics of the accumulation of dopant atoms in this interface are studied. Our results support the utility of an analysis in terms of softness for impurity segregation problems.
ACCESSION #
7632655

 

Related Articles

  • Nanometer-scale surface modifications of YBa[sub 2]Cu[sub 3]O[sub 7-delta] thin films using a.... Bertsche, G.; Clauss, W. // Applied Physics Letters;6/17/1996, Vol. 68 Issue 25, p3632 

    Examines surface modifications of YBa[sub 2]Cu[sub 3]Cu[sub 3]O[sub 7-delta] (YBCO) thin films through scanning tunneling microscope. Characteristics of surface topography of YBCO films; Creation of grain boundaries acting as weak links; Attribution of grain boundaries to the distortion of YBCO...

  • Grain-boundary interfacial states in BeO-doped SiC ceramics: Photoisothermal capacitance transient spectroscopy. Tanaka, Shigeru; Takahashi, Ken; Akita, Chiyoshi; Okushi, Hideyo; Wada, Yoshiki; Tanaka, Junzo // Journal of Applied Physics;4/15/1992, Vol. 71 Issue 8, p3836 

    Deals with a study which characterized the interfacial states at grain boundaries in BeO-doped SiC ceramics using the isothermal capacitance transient spectroscopy. Background to the study; Experimental procedure; Discussion of results.

  • Effect of dopant (Nb) concentration on the grain boundary electrical properties of Nb-doped barium titanate. Seok-Hyun Yoon; Hwan Kim // Journal of Materials Research;Jan2003, Vol. 18 Issue 1, p88 

    Presents a study which described the behavior of grain boundary electrical properties with the increase of niobium (Nb) concentration. Preparation of a coarse-grained BaTiO[sub3] specimens with different dopant Nb concentrations; Characteristics of the positive temperature coefficient resistor;...

  • Effect of 305-MeV Krypton Ions on the Surface of Highly Oriented Pyrolytic Graphite. Didyk, A. Yu.; Latyshev, S. V.; Semina, V. K.; Stepanov, A. É.; Suvorov, A. L.; Fedotov, A. S.; Cheblukov, Yu. N. // Technical Physics Letters;Sep2000, Vol. 26 Issue 9, p751 

    The surface of highly oriented pyrolytic graphite (HOPG) irradiated by 305-MeV krypton ions was studied in a scanning tunneling microscope. It was found that inelastic energy losses of the krypton ions do not significantly affect the sputtering of carbon from the surface of crystalline HOPG...

  • The equilibrium orientation relationship between Pt and SrTiO and its implication on Pt films deposited by physical vapor phase deposition. Altberg, Anna; Atiya, Galit; Mikhelashvili, Vissarion; Eisenstein, Gadi; Kaplan, Wayne // Journal of Materials Science;Jun2014, Vol. 49 Issue 11, p3917 

    The equilibrium orientation of Pt in contact with (100)-SrTiO, at 1050 °C and in an Ar/2 % O environment, was determined by solid-state dewetting of continuous Pt films on single crystal SrTiO substrates. Given the similar lattice parameters between Pt and SrTiO, a simple cube-on-cube...

  • Microstructure Evolution during Roller Hemming of AZ31B Magnesium Sheet. Levinson, Amanda; Mishra, Raja; Doherty, Roger; Kalidindi, Surya // Metallurgical & Materials Transactions. Part A;Oct2012, Vol. 43 Issue 10, p3824 

    The differences in the microstructure evolution during laser-roller hemming and conventional roller hemming (done at room temperature) of commercial-grade AZ31B sheet were studied using electron backscatter diffraction (EBSD). It was observed that the flanging operation, done as a precursor to...

  • Inhomogeneous nano-mechanical properties in the multi-phase microstructure of long-term aged type 316 stainless steel.  // Journal of Materials Research;May2006, Vol. 21 Issue 5, p9 

    Microstructure-related local deformation behavior was evaluated using nanoindentation techniques for a type 316 austenitic stainless steel used in energy generation plants. The sample was aged for 39,332 h (4.5 years) at 700 °C. The microstructure included the ó phase precipitated at grain...

  • Theoretical model of hardness anisotropy in brittle materials. Gao, Faming // Journal of Applied Physics;7/15/2012, Vol. 112 Issue 2, p023506 

    Anisotropy is prominent in the hardness test of single crystals. However, the anisotropic nature is not demonstrated quantitatively in previous hardness model. In this work, it is found that the electron transition energy per unit volume in the glide region and the orientation of glide region...

  • Effects of niobium additions to a vanadium microalloyed H-C wire steel. De Moor, Emmanuel; Miller, Stephanie L. // Wire Journal International;Jul2014, Vol. 47 Issue 7, p74 

    The article discusses research which examines the impact of niobium additions to a high carbon vanadium microalloyed wire steel. Topics discussed include measurement of Pearlite interlamellar spacing using Field Emission Scanning Electron Microscopy (FESEM); application of higher strength wire...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics