Excellent high temperature elasticity and thermodynamic properties of W-Cr alloys: A first-principles study

Excellent high temperature elasticity and thermodynamic properties of W-Cr alloys: A first-principles study

The mechanical and thermodynamic properties of W-Cr alloys (including W15Cr1, W14Cr2, W12Cr4 and W8Cr8 alloys) are investigated by the first-principles study. Meanwhile, the investigation of pure W is also carried out to verify the reliability of the calculation in this paper. The results show that...

Full description

Bibliographic Details
Main Authors:	Diyou Jiang, Songsong Li, Kerong He, Wei Hu, Haiqing Wan, Sanqiu Liu
Format:	Article
Language:	English
Published:	Elsevier 2023-03-01
Series:	Nuclear Materials and Energy
Subjects:	First wall W-Cr alloy First-principles High temperature elasticity Thermodynamic properties
Online Access:	http://www.sciencedirect.com/science/article/pii/S2352179123000066

Similar Items

First-principles calculations to investigate elastic and thermodynamic properties of FeAlNixCrMn quinternary alloys
by: Chao Chang, et al.
Published: (2022-05-01)

First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure
by: W. Leini, et al.
Published: (2018-03-01)

Theoretical predict the structure, elastic anisotropy and thermodynamic properties of Al5W in Al-rich region
by: Yong Pan, et al.
Published: (2023-05-01)

Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure
by: N. Wei, et al.
Published: (2015-12-01)

Elastic and electronic properties of fluorite RuO<sub>2</sub> from first principle
by: Z.J. Yang, et al.
Published: (2012-03-01)

Exploring the phase stability, mechanical and thermodynamic properties of FeCrAl ternary alloy
by: Yong Pan
Published: (2023-09-01)

First-principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure
by: R. Yang, et al.
Published: (2017-12-01)

Thermodynamic and Elastic Properties of Magnesite at Mantle Conditions: First‐Principles Calculations
by: Chao Yao, et al.
Published: (2018-08-01)

Structural Stability, Electronic Structures, Mechanical Properties and Debye Temperature of Transition Metal Impurities in Tungsten: A First-Principles Study
by: Diyou Jiang, et al.
Published: (2019-09-01)

First-Principles Study of Structural Stability and Mechanical Properties of Ta–W–Hf Alloys
by: Xudong Ran, et al.
Published: (2023-03-01)

First-principles insights into micro-alloying roles of Zr in Cu–Cr–Zr alloys
by: Chaomin Zhang, et al.
Published: (2023-05-01)

Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems
by: Cao Z., et al.
Published: (2013-01-01)

First-principles investigation of phase stability and elastic properties of Laves phase TaCr2 by ruthenium alloying
by: Wei Shishi, et al.
Published: (2023-01-01)

First principles study of Ti-Zr-Ta alloy phase stability and elastic properties
by: Zhang Ruobing, et al.
Published: (2023-01-01)

Influence of Al content on the elastic properties and various anisotropies of AlxC rFeCoNiCu high entropy alloys base on the first-principles calculation
by: Yanzhou Li, et al.
Published: (2023-01-01)

Exploring the effect of alloying elements on the thermoelasticity and strength of bcc Fe-based alloys by first-principles phonon calculations
by: Yang Lin, et al.
Published: (2024-05-01)

First-principles calculations to investigate phonon dispersion, mechanical, elastic anisotropy and thermodynamic properties of an actinide-pnictide ceramic at high pressures/temperatures
by: M.H. Sahafi, et al.
Published: (2024-03-01)

Accelerating First Principles Calculation of Multi-Component Alloy Steady-State Structure and Elastic Properties in Full Component Space
by: Zhixuan Yao, et al.
Published: (2023-09-01)

Phase Stability, Elastic Modulus and Elastic Anisotropy of X Doped (X = Zn, Zr and Ag) Al<sub>3</sub>Li: Insight from First-Principles Calculations
by: Jinzhong Tian, et al.
Published: (2021-12-01)

First-Principles Study of the Effect of Sn Content on the Structural, Elastic, and Electronic Properties of Cu–Sn Alloys
by: Lingzhi Zhang, et al.
Published: (2023-10-01)

Alloying effects of Zr, Nb, Ta, and W on thermodynamic and mechanical properties of TiC based on first-principles calculation
by: Rongqi Chen, et al.
Published: (2024-03-01)

First-principles generated mechanical property database for multi-component Al alloys: Focusing on Al-rich corner
by: Wang J., et al.
Published: (2017-01-01)

Mechanical, thermal and electronic properties of CoxBy alloys: a first-principles study
by: JIN Ge, et al.
Published: (2024-04-01)

First-principles calculation of the effect of Ti content on the structure and properties of TiVNbMo refractory high-entropy alloy
by: Lin Chen, et al.
Published: (2020-01-01)

Study on Stability and Elastic Properties of β-TiX (X=Nb, Ta) Alloys From First-Principles Calculations
by: Hou Shuluo, et al.
Published: (2022-07-01)

The Stability and Elasticity in Ta-Ti-V Medium-Entropy Alloys Using First-Principles Calculations
by: Wenqiang Hu, et al.
Published: (2021-05-01)

A First-principles analysis of Structural, Electronic, Elastic, and vacant properties of BCC, FCC and HCP tungsten at different electronic temperatures
by: X.B. Ye, et al.
Published: (2023-06-01)

Lattice Stability and Elastic Properties of Zr-Ti-X Alloys (X = Al, V) by the First Principles Study
by: Wenxiong Duan, et al.
Published: (2020-10-01)

Prediction model of elastic constants of BCC high-entropy alloys based on first-principles calculations and machine learning techniques
by: G. Hayashi, et al.
Published: (2022-12-01)

First-principles study on the thermodynamic, electronic and mechanical properties of Mg–Al–Si ternary compounds
by: Hailian Wang, et al.
Published: (2022-07-01)

First-Principles Design of Refractory High Entropy Alloy VMoNbTaW
by: Shumin Zheng, et al.
Published: (2018-12-01)

First-principles calculations to investigate mechanical, electronic, optical, and thermodynamic properties of Zr-based ternary compounds
by: Yunxuan Zhou, et al.
Published: (2023-03-01)

Research progress in high-entropy alloys driven by high throughput computation and machine learning
by: ZHANG Cong, et al.
Published: (2023-03-01)

First-principles calculations of magnetic and mechanical properties of Fe-based nanocrystalline alloy Fe80Si10Nb6B2Cu2
by: Sun Chong, et al.
Published: (2021-11-01)

Influence of pressure on the structural, elastic and thermodynamic properties of α- and β- PtAl high temperature alloys
by: Yong Pan, et al.
Published: (2024-01-01)

Pronounced inhibitory mechanism of Cr on vacancy-like defects in Fe9Cr alloy irradiation with helium ions
by: Siqi Jiang, et al.
Published: (2022-10-01)

An initio study of thermodynamic and fracture properties of CrFeCoNiMnx (0≤x≤3) high-entropy alloys
by: Yu Liu, et al.
Published: (2022-03-01)

First-principles study on the hydrogen trapping by vacancy and substitutional helium in W–Ta alloy
by: XiangCao Li, et al.
Published: (2023-09-01)

Elasticity and Anisotropy of Titanium Oxide TixOy
by: Luo Yan-Ting, et al.
Published: (2016-01-01)

Effects of Al and La elements on mechanical properties of CoNiFe0.6Cr0.6 high-entropy alloys: a first-principles study
by: Xu Wang, et al.
Published: (2023-03-01)