First-principles calculations of mechanical and thermodynamic properties of tetragonal Be12Ti-Reference-Cited by-同舟云学术

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be12Ti

Published:2019 Issue:10 Volume:9 Page:5302-5312
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Liu Xiankun¹²³⁴^ORCID,Feng Qijie¹²³⁴,Tang Bin¹²³⁴,Zheng Jian¹²³⁴,Zheng Zhou⁵²³⁴,Zhou Wei¹²³⁴,Tian Jiting¹²³⁴,Wang Jing⁶²³⁴

Affiliation:

1. Institute of Nuclear Physics and Chemistry

2. CAEP

3. Mianyang 621900

4. China

5. Institute of Chemical Materials

6. Institute of Materials

Abstract

The elastic and thermodynamic properties of tetragonal Be₁₂Ti under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave DFT within the GGA and quasi-harmonic approximation (QHA).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C8RA08711C

Reference50 articles.

1. Microstructural and tritium release examination of titanium beryllides

2. Oxidation resistance of Be12Ti fabricated by plasma-sintering method

3. Retention and release mechanisms of tritium loaded in plasma-sprayed tungsten coatings by plasma exposure

4. Novelγ-Phase of Titanium Metal at Megabar Pressures

5. First-principles calculations of phase transition, elasticity, and thermodynamic properties for TiZr alloy

Cited by 23 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Tailoring morphological, elastic, and thermodynamic properties of Ag2BeSnX4 (X = S, Se, Te) kesterites: a computational approach;Journal of Nanoparticle Research;2024-08-31

2. Analysis of lattice deformation originated from residual stress on performance of aluminum nitride-based bulk acoustic wave resonators;Composite Structures;2024-07

3. First-principles study of electronic, mechanical, and optical properties of M3GaB2 (M = Ti, Hf) MAX phases;Heliyon;2024-07

4. Influence of high pressure on the mechanical and electronic properties of T-C9 carbon allotrope based on first-principles studies;Molecular Physics;2024-05-23

5. Structural, mechanical, electronic and thermodynamic properties of VH2 for hydrogen storage purposes;Physica B: Condensed Matter;2024-05