2021/04/07 by Mingqing Liao, Yong Liu, Yi Wang +8 · 11 citations
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Composite material #Diamond #Diamond and Carbon-based Materials Research #Economics #High-pressure geophysics and materials #Materials science #Order (exchange) #Physics #Political science #Third order #cond-mat.mtrl-sci
paper · pdf · doi:10.1016/j.diamond.2021.108490
published in Diamond and Related Materials 117, 108490 (Elsevier BV) · 9 pages, 3 figures, 2 tables
arxiv created 2021/04/07 · openalex publication_date 2021/06/10 · arxiv updated 2021/06/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
In this letter, we study the higher-order effect on the third-order elastic constants (TOECs) of diamond using longitudinal stress-uniaxial strain (LSUS) approach based on density functional theory. The result shows that the higher-order effect on TOECs is not negligible in the shock wave experiments and similar calculations. By taking the higher-order elastic response (up to fifth order) into consideration, the convergence of TOECs against maximum stain gets improved significantly and resolves the discrepancy of several different theoretical methods and experiments.