相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Factors controlling segregation tendency of solute Ti, Ag and Ta into different symmetrical tilt grain boundaries of tungsten: First-principles and experimental study
Ahmed Tamer AlMotasem et al.
ACTA MATERIALIA (2021)
Solute effects on the Σ3 (111)[1(1)over-bar0] tilt grain boundary in BCC Fe: Grain boundary segregation, stability, and embrittlement
Yong-Jie Hu et al.
COMPUTATIONAL MATERIALS SCIENCE (2020)
A review of analytical criteria for fission gas induced fragmentation of oxide fuel in accident conditions
Lars O. Jernkvist
PROGRESS IN NUCLEAR ENERGY (2020)
First-principles study on the grain boundary embrittlement of bcc-Fe by Mn segregation
Kazuma Ito et al.
PHYSICAL REVIEW MATERIALS (2019)
Experimental and simulation study of grain boundaries in UO2
Emeric Bourasseau et al.
JOURNAL OF NUCLEAR MATERIALS (2019)
First-principles study of impurity segregation in zirconia, hafnia, and yttria-stabilized-zirconia grain boundaries
Maziar Behtash et al.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2019)
Thermal conductivity and diffusion mechanisms of noble gases in uranium dioxide: A DFT plus U study
E. Torres et al.
JOURNAL OF NUCLEAR MATERIALS (2019)
Modelling of fine fragmentation and fission gas release of UO2 fuel in accident conditions
Lars O. Jernkvist
EPJ NUCLEAR SCIENCES & TECHNOLOGIES (2019)
Solute segregation in Cu: DFT vs. Experiment
V. I. Razumovskiy et al.
ACTA MATERIALIA (2018)
Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures
Jianli Cheng et al.
COMPUTATIONAL MATERIALS SCIENCE (2018)
First-principles determination of grain boundary strengthening in tungsten: Dependence on grain boundary structure and metallic radius of solute
Xuebang Wu et al.
ACTA MATERIALIA (2016)
Development of Xe and Kr empirical potentials for CeO2, ThO2, UO2 and PuO2, combining DFT with high temperature MD
M. W. D. Cooper et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2016)
Segregation-induced changes in grain boundary cohesion and embrittlement in binary alloys
Michael A. Gibson et al.
ACTA MATERIALIA (2015)
Multiscale simulation of xenon diffusion and grain boundary segregation in UO2
David A. Andersson et al.
JOURNAL OF NUCLEAR MATERIALS (2015)
An Assessment of the Fuel Pulverization Threshold During LOCA-Type Temperature Transients
J. A. Turnbull et al.
NUCLEAR SCIENCE AND ENGINEERING (2015)
Modeling the influence of bubble pressure on grain boundary separation and fission gas release
Pritam Chakraborty et al.
JOURNAL OF NUCLEAR MATERIALS (2014)
A many-body potential approach to modelling the thermomechanical properties of actinide oxides
M. W. D. Cooper et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3
E. E. Helgee et al.
FUEL CELLS (2013)
The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary
Minki Hong et al.
JOURNAL OF APPLIED PHYSICS (2013)
Atomic structure of a Σ3 [110]/(111) grain boundary in CeO2
B. Feng et al.
APPLIED PHYSICS LETTERS (2012)
Grain Boundaries in Uranium Dioxide: Scanning Electron Microscopy Experiments and Atomistic Simulations
Pankaj V. Nerikar et al.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2011)
First-Principles Study on Enhanced Grain Boundary Embrittlement of Iron by Phosphorus Segregation
Motohiro Yuasa et al.
MATERIALS TRANSACTIONS (2011)
U and Xe transport in UO2±x: Density functional theory calculations
D. A. Andersson et al.
PHYSICAL REVIEW B (2011)
Segregation of xenon to dislocations and grain boundaries in uranium dioxide
P. V. Nerikar et al.
PHYSICAL REVIEW B (2011)
Stability of oxygen point defects in UO2 by first-principles DFT plus U calculations: Occupation matrix control and Jahn-Teller distortion
Boris Dorado et al.
PHYSICAL REVIEW B (2010)
Investigation of molybdenum and caesium behaviour in urania by ab initio calculations
G. Brillant et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Ab initio DFT plus U study of He atom incorporation into UO2 crystals
Denis Gryaznov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Fission product release and microstructure changes during laboratory annealing of a very high burn-up fuel specimen
J. -P. Hiernaut et al.
JOURNAL OF NUCLEAR MATERIALS (2008)
Study of Ba and Zr stability in UO2±x by density functional calculations
G. Brillant et al.
PHYSICAL REVIEW B (2008)
Effects of segregating elements on the adhesive strength and structure of the α-Al2O3/β-NiAl interface
Karin M. Carling et al.
ACTA MATERIALIA (2007)
First-principles calculation of point defects in uranium dioxide
Misako Iwasawa et al.
MATERIALS TRANSACTIONS (2006)
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation
M Freyss et al.
JOURNAL OF NUCLEAR MATERIALS (2005)
Behavior of actinide dioxides under pressure:: UO2 and ThO2 -: art. no. 014113
M Idiri et al.
PHYSICAL REVIEW B (2004)
Atomic structure and solute segregation of a Σ=3, [110]/{111} grain boundary in an yttria-stabilized cubic zirconia bicrystal
N Shibata et al.
PHILOSOPHICAL MAGAZINE LETTERS (2002)
分享论文
