Fracture strength of AlLiB14.

  title={Fracture strength of AlLiB14.},
  author={Liwen F. Wan and Scott P. Beckman},
  journal={Physical review letters},
  volume={109 14},
  • L. Wan, S. Beckman
  • Published 29 September 2012
  • Materials Science, Physics, Medicine
  • Physical review letters
The orthorhombic boride crystal family XYB14, where X and Y are metal atoms, plays a critical role in a unique class of superhard compounds, yet there have been no studies aimed at understanding the origin of the mechanical strength of this compound. We present here the results from a comprehensive investigation into the fracture strength of the archetypal AlLiB14 crystal. First principles, ab initio, methods are used to determine the ideal brittle cleavage strength for several high-symmetry… 
7 Citations

Figures, Tables, and Topics from this paper

Atomic bonding in the AlLiB 14
Abstract The underlying nature of atomic bonds in the orthorhombic AlLiB 14 crystal is studied using first-principles methods. Significant charge transfer is observed upon bonding, which is
Substitutional C on B sites in AlLiB14.
  • L. Wan, S. Beckman
  • Materials Science, Medicine
    Journal of physics. Condensed matter : an Institute of Physics journal
  • 2013
An ideal brittle cleavage model is used to study the impact of C doping on the mechanical properties of AlLiB14, and it is concluded that introducing C to the crystal decreases the ideal fracture strength by 3.3 GPa, which is about a 12% reduction in overall strength.
Lattice instability in the AlMgB14 structure
The lattice dynamics of the AlMgB14 structure is characterized by phonon vibrational modes that are calculated from first-principles methods. The stoichiometric composition of AlMgB14 is found to
Size effects and strain localization in atomic-scale cleavage modeling.
  • B. Elsner, S. Müller
  • Materials Science, Medicine
    Journal of physics. Condensed matter : an Institute of Physics journal
  • 2015
This work studies the adhesion and decohesion of Cu(1 0 0) surfaces using density functional theory (DFT) calculations and finds that the transition occurs via a localization of bond strain in the vicinity of the cleavage plane, which resembles the strain localization at the tip of a sharp crack that is predicted by linear elastic fracture mechanics.
First-principles study of crystalline and amorphous AlMgB14-based materials
We report first-principles investigations of crystalline and amorphous boron and M1xM2yXzB14−z (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is
Complex borides based on AlLiB14 as high-temperature thermoelectric compounds.
  • L. Wan, S. Beckman
  • Materials Science, Medicine
    Physical chemistry chemical physics : PCCP
  • 2014
AlLiB14 is examined as a potential high-temperature thermoelectric material and it is found to have a band gap of 2.13 eV, and an electronic dispersion with characteristic indicative of having a high Seebeck coefficient.


A Study of Selected Properties and Applications of AlMgB14 and Related Composites: Ultra-Hard Materials
This research presents a study of the hardness, electrical, and thermal properties AlMgB{sub 14} containing Al{sub 2}MgO{sub 4} spinel. This research also investigated how much Al{sub 2}MgO{sub 4}
however (for it was the literal soul of the life of the Redeemer, John xv. io), is the peculiar token of fellowship with the Redeemer. That love to God (what is meant here is not God’s love to men)
Statistical packages have been used for decades to analyze large datasets or to perform mathematically intractable statistical methods. These packages are not capable of working with random variables
  • J. Appl. Phys. 41, 928
  • 2002
Growth 128
  • 1113
  • 1993
  • Technol. Adv. Mater. 11, 023001
  • 2010
  • Lett. 74, 5
  • 2012
IOP Conf
  • Ser.: Mater. Sci. Eng. 18, 082024
  • 2011
УДК 338
The article considers problems and prospects of development of the gas motor fuel market in Russia. An analysis of the current state of development of the network of CNG filling stations is carried
Acta Mater
  • 58, 76
  • 2010