Detail publikace

Stability and strength of covalent crystals under uniaxial and triaxial loading from first principles

ČERNÝ, M. ŘEHÁK, P. UMENO, Y. POKLUDA, J.

Originální název

Stability and strength of covalent crystals under uniaxial and triaxial loading from first principles

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

Response of three covalent crystals with a diamond lattice (C, Si and Ge) to uniaxial and a special triaxial (generally nonhydrostatic) loading is calculated from first principles. The lattice deformations are described in terms of variations of bond lengths and angles. The triaxial stress state is simulated as a superposition of axial tension or compression and transverse (both tensile and compressive) biaxial stresses. The biaxial stresses are considered to be adjustable parameters and the theoretical strengths in tension and compression along <100>, <110>, <111> crystallographic directions are calculated as their functions. The obtained results revealed that the compressive strengths are, consistently to fcc metals, almost linear functions of the transverse stresses. Tensile transverse stresses lower the compressive strength and vice versa. The tensile strengths, however, are not monotonic functions of the transverse biaxial stresses since they mostly exhibit maxima for certain values of the transverse stresses (e.g., tensile for<100> and <110> loading of Si and Ge or compressive for <100> loading of C).

Klíčová slova

theoretical strength, triaxial loading, diamond structure, ab initio calculations

Autoři

ČERNÝ, M.; ŘEHÁK, P.; UMENO, Y.; POKLUDA, J.

Rok RIV

2013

Vydáno

23. 1. 2013

ISSN

0953-8984

Periodikum

Journal of Physics: Condensed Matter

Ročník

25

Číslo

3

Stát

Spojené království Velké Británie a Severního Irska

Strany od

035401

Strany do

035401

Strany počet

8

BibTex

@article{BUT95577,
  author="Miroslav {Černý} and Petr {Řehák} and Yoshitaka {Umeno} and Jaroslav {Pokluda}",
  title="Stability and strength of covalent crystals under uniaxial and triaxial loading from first principles",
  journal="Journal of Physics: Condensed Matter",
  year="2013",
  volume="25",
  number="3",
  pages="035401--035401",
  doi="10.1088/0953-8984/25/3/035401",
  issn="0953-8984"
}