Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress

By Y. Page, P. Saxe. 2002

1,132 citations recorded by the source corpus.

Subfields: Geophysics, Materials Chemistry, Mechanics of Materials

View Paper: https://www.semanticscholar.org/paper/07322ee22308dae4cdd41db468aedbd4f0aa37d9

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Geophysics

1. Yuanfeng Xu
2. Hao Zhang
3. Bo Peng
4. Pablo D. Zavattieri
5. Hezhu Shao
6. P. K. Liaw
7. A. Gencer
8. Heyuan Zhu

In Materials Chemistry

1. A. Gencer
2. A. Candan
3. H. H. Gullu
4. Mehmet Isik
5. Vei Wang
6. Gang Tang
7. Wen-Tong Geng
8. N. Xu

In Mechanics of Materials

1. Pablo D. Zavattieri
2. P. K. Liaw
3. A. Gencer
4. L. Hector
5. R. Moon
6. Kristin A. Persson
7. G. Surucu
8. A. Candan

Citations in the corpus

• Lattice instabilities in metallic elements (2012, background): “The approach is particularly suitable to treat complex structures, for instance, as in the calculation of the elastic constants of the triclinic polymorph of Al2SiO5 (kyanite), and Ti4As3 under uniaxial strain (Le Page and Saxe, 2002).”
• Stability and strength of atomically thin borophene from first principles calculations (2016, methodology): “We calculate the elastic tensor coefficients including ionic relaxations using the finite differences method [64,65].”
• Anisotropy of the elastic properties of crystalline cellulose Iβ from first principles density functional theory with Van der Waals interactions (2013, methodology): “The calculated Young’s moduli in selected directions are reported for different total strains [applied in the Le Page and Saxe method (Le Page and Saxe 2002)] in Table 3.”
• First-principles and machine learning predictions of elasticity in severely lattice-distorted high-entropy alloys with experimental validation (2019, methodology): “First-principles methods based on the density functional theory DFT) excel in predicting the elastic properties of pure metals nd ordered alloys [42 , 43] .”
• ElaStic: A tool for calculating second-order elastic constants from first principles (2013, background): “Different signs of c14 of Al2O3 are found in experimental [51–54] as well as theoretical work [55–58].”
• First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics (2019, neutral): “the elastic modulus calculation was performed within the Voigt-Ress-Hill approximation [26,27].”