Effects of Zr and V additions on the stability and migration of He in bcc W: A first-principles study

Ningning Zhang; Yujuan Zhang; Yu Yang; Ping Zhang; Changchun Ge

doi:10.1016/j.physleta.2019.05.035

Effects of Zr and V additions on the stability and migration of He in bcc W: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2019.05.035 ◽

2019 ◽

Vol 383 (23) ◽

pp. 2777-2783

Author(s):

Ningning Zhang ◽

Yujuan Zhang ◽

Yu Yang ◽

Ping Zhang ◽

Changchun Ge

Keyword(s):

First Principles ◽

First Principles Study ◽

And Migration ◽

The Stability

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First-principles study of the stability and migration of Kr, I and Xe in ZrO2

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2013.11.044 ◽

2014 ◽

Vol 446 (1-3) ◽

pp. 172-177

Author(s):

H.Y. Xiao ◽

W.J. Weber ◽

Y. Zhang

Keyword(s):

First Principles ◽

First Principles Study ◽

And Migration ◽

The Stability

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Effects of Cr and W additions on the stability and migration of He in bcc Fe: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2016.06.019 ◽

2016 ◽

Vol 123 ◽

pp. 85-92 ◽

Cited By ~ 8

Author(s):

Ruihuan Li ◽

Pengbo Zhang ◽

Xiaojie Li ◽

Jianhua Ding ◽

Yuanyuan Wang ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

And Migration ◽

The Stability

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Effects of Cr and Ti additions on the stability and migration of C, N and O in vanadium: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2021.112604 ◽

2021 ◽

Vol 168 ◽

pp. 112604

Author(s):

Ruihuan Li ◽

Xiaoxiao Cao ◽

Dan Sun ◽

Wei Feng ◽

Sha Song ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

And Migration ◽

The Stability

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First principles study on formation and migration energies of sodium and lithium in graphite

Physical Review Materials ◽

10.1103/physrevmaterials.5.085401 ◽

2021 ◽

Vol 5 (8) ◽

Author(s):

Izumi Takahara ◽

Teruyasu Mizoguchi

Keyword(s):

First Principles ◽

First Principles Study ◽

And Migration

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First Principles Study of the Stability and Thermal Conductivity of Novel Li-Be Hybrid Ceramics

Acta Materialia ◽

10.1016/j.actamat.2021.117052 ◽

2021 ◽

pp. 117052

Author(s):

G.D. Samolyuk ◽

P.D. Edmondson

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

First Principles Study ◽

The Stability

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First-principles study of the stability, mechanical, electronic and optical properties of Cd0.75Hg0.25Se

Chemical Physics ◽

10.1016/j.chemphys.2021.111164 ◽

2021 ◽

pp. 111164

Author(s):

Diwen Liu ◽

Xueyou Wang ◽

Yanjie Zhang ◽

Rongjian Sa

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

First Principles Study ◽

The Stability

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First-principles study of the stability of the icosahedralTi13,Ti13−1,andTi13+1clusters

Physical Review B ◽

10.1103/physrevb.65.165424 ◽

2002 ◽

Vol 65 (16) ◽

Cited By ~ 37

Author(s):

Shan-Ying Wang ◽

Wenhui Duan ◽

Dong-Liang Zhao ◽

Chong-Yu Wang

Keyword(s):

First Principles ◽

First Principles Study ◽

The Stability

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First-Principles Study on the Stability and STM Image of Borophene

Nanoscale Research Letters ◽

10.1186/s11671-017-2282-7 ◽

2017 ◽

Vol 12 (1) ◽

Cited By ~ 8

Author(s):

Zhifen Luo ◽

Xiaoli Fan ◽

Yurong An

Keyword(s):

First Principles ◽

First Principles Study ◽

Stm Image ◽

The Stability

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First-principles study of the stability of atomic Ag lines epitaxial to self-assembled Bi nanolines

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/26/266213 ◽

2007 ◽

Vol 19 (26) ◽

pp. 266213 ◽

Cited By ~ 2

Author(s):

H Koga ◽

T Ohno

Keyword(s):

First Principles ◽

First Principles Study ◽

Self Assembled ◽

The Stability

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First Principles Study of the Influence of the Local Steric Environment on the Incorporation and Migration of NO in a-SiO2

Materials Science Forum ◽

10.4028/www.scientific.net/msf.963.194 ◽

2019 ◽

Vol 963 ◽

pp. 194-198

Author(s):

Manesh V. Mistry ◽

Jonathon Cottom ◽

K. Patel ◽

A.M. El-Sayed ◽

Gregor Pobegen ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

Diffusion Paths ◽

Dft Simulations ◽

And Migration ◽

Insight Into

The NO anneal has been shown to effectively remove 99% of defects in SiC based devices. However, the details of interactions of NO molecules with amorphous (a)-SiO2 and SiC/SiO2 interface are still poorly understood. We use DFT simulations to investigate the NO incorporation energies in a-SiO2, and how these are affected by the steric environment. The results explain the ease with which NO molecules incorporate into a-SiO2 and give an insight into the diffusion paths they take during annealing. We highlight the importance of exhaustive sampling for exploring NO diffusion pathways.

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