Journal ArticleDOI
Grain Boundary Strengthening in Alumina by Rare Earth Impurities
James P. Buban,Katsuyuki Matsunaga,Katsuyuki Matsunaga,Jianmin Chen,Jianmin Chen,Naoya Shibata,Naoya Shibata,Wai-Yim Ching,Wai-Yim Ching,T. Yamamoto,T. Yamamoto,Yuichi Ikuhara,Yuichi Ikuhara +12 more
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TLDR
It is found that the yttrium segregates to very localized regions along the grain boundary and alters the local bonding environment, thereby strengthening the boundary against mechanical creep.Abstract:
Impurity doping often alters or improves the properties of materials. In alumina, grain boundaries play a key role in deformation mechanisms, particularly in the phenomenon of grain boundary sliding during creep at high temperatures. We elucidated the atomic-scale structure in alumina grain boundaries and its relationship to the suppression of creep upon doping with yttrium by using atomic resolution microscopy and high-precision calculations. We find that the yttrium segregates to very localized regions along the grain boundary and alters the local bonding environment, thereby strengthening the boundary against mechanical creep.read more
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Giant thermoelectric Seebeck coefficient of a two-dimensional electron gas in SrTiO3
Hiromichi Ohta,Hiromichi Ohta,Sung Wng Kim,Yoriko Mune,Teruyasu Mizoguchi,Kenji Nomura,Shingo Ohta,Takashi Nomura,Yuki Nakanishi,Yuichi Ikuhara,Masahiro Hirano,Hideo Hosono,Kunihito Koumoto +12 more
TL;DR: The present approach using a 2DEG provides a new route to realize practical thermoelectric materials without the use of toxic heavy elements and enhances the Seebeck coefficient without reducing the electrical conductivity.
Journal ArticleDOI
Periodic Segregation of Solute Atoms in Fully Coherent Twin Boundaries
TL;DR: An unusual phenomenon in magnesium alloys is reported: the equilibrium segregation of solute atoms into patterns within fully coherent terraces of deformation twin boundaries, leading to a concomitant but unusual situation in which annealing strengthens rather than weakens these alloys.
Journal ArticleDOI
Complexion: A new concept for kinetic engineering in materials science
TL;DR: In this paper, the existence of multiple interface complexions in a real-world material system has been proven by thermodynamics, and it has been shown that an interface complexion can be considered as a separate phase which can be made to transform into different phases with vastly different properties by chemistry and heat treatment.
Journal ArticleDOI
Tailoring grain boundary structures and chemistry of Ni-rich layered cathodes for enhanced cycle stability of lithium-ion batteries
Pengfei Yan,Pengfei Yan,Jianming Zheng,Jian Liu,Biqiong Wang,Xiaopeng Cheng,Yuefei Zhang,Xueliang Sun,Chongmin Wang,Ji-Guang Zhang +9 more
TL;DR: In this article, a solid electrolyte is injected into the grain boundaries of the secondary particles of the Ni-rich layered lithium transition metal oxides to prevent penetration of liquid electrolyte into the boundaries, and eliminate the detrimental factors, which include cathode-liquid electrolyte interfacial reactions, intergranular cracking and layered-to-spinel phase transformation.
Journal ArticleDOI
Atomistic modeling of interfaces and their impact on microstructure and properties
Yuri Mishin,Mark Asta,Ju Li +2 more
TL;DR: An overview of the most recent developments in the area of atomistic modeling with emphasis on interfaces and their impact on microstructure and properties of materials is given in this paper, along with some challenges and future research directions in this field.
References
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Journal ArticleDOI
The general utility lattice program (GULP)
Julian D. Gale,Andrew L. Rohl +1 more
TL;DR: The General Utility Lattice Program (GULP) as discussed by the authors has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented.
Journal ArticleDOI
Potential models for ionic oxides
G. V. Lewis,C. R. A. Catlow +1 more
TL;DR: In this article, the authors present a systematic approach to the derivation of empirical potential parameters for binary oxides; they also consider their modification for use in mixed oxide systems, and discuss successful applications of the potentials to the calculation of perfect lattice properties.
Journal ArticleDOI
Atomic-scale imaging of individual dopant atoms and clusters in highly n -type bulk Si
TL;DR: Using annular dark-field scanning transmission electron microscopy, the direct, atomic-resolution observation of individual antimony (Sb) dopant atoms in crystalline Si is reported, and the size, structure, and distribution of these clusters are identified, responsible for the saturation of charge carriers.
Journal ArticleDOI
Boundary defects, and atomistic aspects of boundary sliding and diffusional creep
TL;DR: The behavior of atoms in a grain or phase boundary when the boundary slides (when the crystals which meet at the boundary suffer a relative shear displacement parallel to the boundary plane) and during diffusional creep is described in this article.
Journal ArticleDOI
Plastic Deformation of Fine‐Grained Alumina (Al2O3): I, Interface‐Controlled Diffusional Creep
TL;DR: In this paper, the deformation dynamics of fine-grained alumina polycrystals (grain size 1 to 15 μm) were studied and diffusional creep, basal slip, and unaccommodated grain-boundary sliding were investigated.
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