FIRST-PRINCIPLES STUDY ON THE THERMODYNAMIC DEFECT AND CRYSTAL STRUCTURE OF U-12.5 AT% Nb ALLOY

Jin-Tao WANG; Wen-Li YU; Tao WANG; Yu-Ling WANG; Yun-Liang GAO

doi:10.18280/ijht.330124

FIRST-PRINCIPLES STUDY ON THE THERMODYNAMIC DEFECT AND CRYSTAL STRUCTURE OF U-12.5 AT% Nb ALLOY

International Journal of Heat and Technology ◽

10.18280/ijht.330124 ◽

2015 ◽

Vol 33 (1) ◽

pp. 175-180 ◽

Cited By ~ 1

Author(s):

Jin-Tao WANG ◽

Wen-Li YU ◽

Tao WANG ◽

Yu-Ling WANG ◽

Yun-Liang GAO

Keyword(s):

Crystal Structure ◽

First Principles ◽

First Principles Study

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Adsorption behaviors and crystal structure of AlN films on TiN (001) surfaces by first-principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2021.106804 ◽

2021 ◽

pp. 106804

Author(s):

Zhuoliang Zou ◽

Zukang Mo ◽

Huan He ◽

Xiaoming Shen ◽

Yuechun Fu

Keyword(s):

Crystal Structure ◽

First Principles ◽

First Principles Study ◽

Adsorption Behaviors

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First-principles study of the crystal structure and equation of state of naphthaline and anthracene

Journal of Structural Chemistry ◽

10.1134/s0022476612030018 ◽

2012 ◽

Vol 53 (3) ◽

pp. 417-423 ◽

Cited By ~ 11

Author(s):

Yu. N. Zhuravlev ◽

I. A. Fedorov ◽

M. Yu. Kiyamov

Keyword(s):

Crystal Structure ◽

Equation Of State ◽

First Principles ◽

First Principles Study

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First-principles study of Al–Ni–Y ternary compounds for crystal structure validation

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2007.08.010 ◽

2008 ◽

Vol 462 (1-2) ◽

pp. 262-266 ◽

Cited By ~ 8

Author(s):

Dongwon Shin ◽

William J. Golumbfskie ◽

Earle R. Ryba ◽

Zi-Kui Liu

Keyword(s):

Crystal Structure ◽

First Principles ◽

Structure Validation ◽

Ternary Compounds ◽

First Principles Study

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First-principles study of (MgH 2 SiO 4 )? n (Mg 2 SiO 4 ) hydrous olivine structures. I. Crystal structure modelling of hydrous olivine Hy-2 a (MgH 2 SiO 4 ) ? 3(Mg 2 SiO 4 )

Physics and Chemistry of Minerals ◽

10.1007/s00269-002-0288-9 ◽

2003 ◽

Vol 30 (1) ◽

pp. 1-11 ◽

Cited By ~ 11

Author(s):

S. V. Churakov ◽

N. R. Khisina ◽

V. S. Urusov ◽

R. Wirth

Keyword(s):

Crystal Structure ◽

First Principles ◽

First Principles Study

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Corrigendum to ‘First-principles study of crystal structure prediction, electronic, thermodynamic and mechanical properties of Al-Li binary system’ [Materials Today Communications 29 (2021) 1–9/102920]

Materials Today Communications ◽

10.1016/j.mtcomm.2021.103069 ◽

2021 ◽

pp. 103069

Author(s):

Yan Huang ◽

Xiaozhe Zhang ◽

Shaodong Sun

Keyword(s):

Crystal Structure ◽

Mechanical Properties ◽

Binary System ◽

First Principles ◽

Structure Prediction ◽

Crystal Structure Prediction ◽

First Principles Study

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First-principles study of the electric, magnetic, and orbital structure in perovskite ScMnO3

RSC Advances ◽

10.1039/c8ra08507b ◽

2019 ◽

Vol 9 (4) ◽

pp. 2143-2151 ◽

Cited By ~ 1

Author(s):

Guang Song ◽

Yuting Chen ◽

Guannan Li ◽

Benling Gao

Keyword(s):

Crystal Structure ◽

First Principles ◽

Three Dimensional ◽

Orbital Structure ◽

Orbital Ordering ◽

First Principles Study

The crystal structure and three-dimensional alternating complementary orbital ordering of perovskite ScMnO3.

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First-Principles Study on the Structural, Electronic and Elastic Properties of Alloyed Austenite with Co and Ni

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.503-504.684 ◽

2012 ◽

Vol 503-504 ◽

pp. 684-687

Author(s):

Z. Q. Lv ◽

Z. P. Shi ◽

Y. Li

Keyword(s):

Crystal Structure ◽

Elastic Properties ◽

First Principles ◽

Orthorhombic Structure ◽

Ambient Conditions ◽

First Principles Study ◽

Crystal Type ◽

Cubic Structure ◽

Alloyed Austenite

The crystal structure of alloyed austenite distorted after Ni and Co replaced Fe. The crystal type of austenite changed from cubic structure to tetragon or orthorhombic structure due to the influence of Co and Ni. The ratio (B/G) for γ-Fe (C) is equal to 2.841, which is higher than that for other alloyed austenite with Co and Ni. The workability of alloyed austenite with Co and Ni are poorer than γ-Fe (C). The formation of alloyed austenite needs more energy than γ-Fe (C) at ambient conditions.

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OS0401 First-Principles Study on Crystal Structure and Functional Characteristics of Perovskite-Type Oxides

The Proceedings of the Materials and Mechanics Conference ◽

10.1299/jsmemm.2009.539 ◽

2009 ◽

Vol 2009 (0) ◽

pp. 539-540

Author(s):

Yasuhito FUKUTA ◽

Kazuyoshi TSUCHIYA ◽

Yasutomo UETSUJI

Keyword(s):

Crystal Structure ◽

First Principles ◽

Functional Characteristics ◽

First Principles Study ◽

Perovskite Type

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Pressure-induced influence on the crystal structure, electronic structure and thermoelectric properties of NaB3: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2017.09.260 ◽

2018 ◽

Vol 731 ◽

pp. 323-331 ◽

Cited By ~ 4

Author(s):

Yan Zhong ◽

Chao-Hao Hu ◽

Dian-hui Wang ◽

Huai-Ying Zhou

Keyword(s):

Crystal Structure ◽

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

First Principles Study

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First-principles study of crystal structure and stability of Al?Mg?Si?(Cu) precipitates

Acta Materialia ◽

10.1016/j.actamat.2004.05.037 ◽

2004 ◽

Vol 52 (14) ◽

pp. 4213-4227 ◽

Cited By ~ 243

Author(s):

C RAVI

Keyword(s):

Crystal Structure ◽

First Principles ◽

Structure And Stability ◽

First Principles Study

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