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Philosophical Magazine Volume 86, 2006 - Issue 32
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Original Articles

First-principles study of the adhesive and mechanical properties of the O-terminated α-Al2O3(0001)/Cu(111) interfaces

S. Tanaka Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka 563-8577, JapanCorrespondence[email protected]
,
R. Yang Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka 563-8577, Japan; present address: Department of Computer Science, College of Engineering and Computer Science, Australian National University, Canberra, Australia
&
M. Kohyama Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka 563-8577, Japan
Pages 5123-5135 | Received 18 Jan 2006, Accepted 03 May 2006, Published online: 19 Aug 2006

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Stephen Hocker, Siegfried Schmauder, Alexander Bakulin & Svetlana Kulkova. (2014) Ab initio investigation of tensile strengths of metal(1 1 1)/α-Al2O3(0 0 0 1) interfaces. Philosophical Magazine 94:3, pages 265-284.
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Articles from other publishers (20)

M. Ruan, Y.M. Qiao, L.L. Lu, J.Y. Sun, F. Chen, Y. Chen, X.H. Zuo, Z.L. Yu, B.S. Wang & J.M. Liu. (2023) The mechanism of ethanol steam reforming on Co10|α-Al2O3 (0001) surface: A DFT study. Surface Science 729, pages 122220.
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Fengzi Zhou, Shaolin Li & Dawei Kang. (2023) The Schottky barrier and charge transport through the Cu/Al2O3 interface. Surfaces and Interfaces 36, pages 102622.
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Yongtao Chen, Xinghai Liu, Tingbo Zhang, Haonan Xie, Naiqin Zhao, Chunsheng Shi, Chunnian He, Jiajun Li & Enzuo Liu. (2019) Interface intrinsic strengthening mechanism on the tensile properties of Al2O3/Al composites. Computational Materials Science 169, pages 109131.
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R.F. Zhang, S.H. Zhang, Y.Q. Guo, Z.H. Fu, D. Legut, T.C. Germann & S. Veprek. (2019) First-principles design of strong solids: Approaches and applications. Physics Reports 826, pages 1-49.
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A. V. Bakulin, A. A. Fuks & S. E. Kulkova. The influence of VB and VIB metals on the adhesion properties of Ti3Al/Al2O3 interface. The influence of VB and VIB metals on the adhesion properties of Ti3Al/Al2O3 interface.
Stephen Hocker, Alexander Bakulin, Hansjörg Lipp, Siegfried Schmauder & Svetlana Kulkova. 2019. Handbook of Mechanics of Materials. Handbook of Mechanics of Materials 199 239 .
Elric Barbé, Chu-Chun Fu & Maxime Sauzay. (2018) Fracture of coherent interfaces between an fcc metal matrix and the carbide precipitate from first principles . Physical Review Materials 2:2.
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Stephen Hocker, Alexander Bakulin, Hansjörg Lipp, Siegfried Schmauder & Svetlana Kulkova. 2018. Handbook of Mechanics of Materials. Handbook of Mechanics of Materials 1 40 .
I. Salehinia, S. Shao, J. Wang & H. M. Zbib. (2014) Plastic Deformation of Metal/Ceramic Nanolayered Composites. JOM 66:10, pages 2078-2085.
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Ulises Galan & Henry A. Sodano. (2012) Molecular dynamics prediction of interfacial strength and validation through atomic force microscopy. Applied Physics Letters 101:15.
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Wenshan Yu & Shengping Shen. (2010) Multiscale study on the tensile fracture of Al-terminated Cu(1 1 1)/α-Al2O3(0 0 0 1) interfaces. Computational Materials Science 48:2, pages 228-240.
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Shigenobu Ogata, Yoshitaka Umeno & Masanori Kohyama. (2009) First-principles approaches to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces. Modelling and Simulation in Materials Science and Engineering 17:1, pages 013001.
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Hubert Valencia, Masanori Kohyama, Shingo Tanaka & Hajime Matsumoto. (2008) Ab initio study of molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries . Physical Review B 78:20.
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Eduardo SaizRowland M. CannonAntoni P. Tomsia. (2008) High-Temperature Wetting and the Work of Adhesion in Metal/Oxide Systems. Annual Review of Materials Research 38:1, pages 197-226.
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Michiko Yoshitake, Weijie Song, Jiří Libra, Karel Mašek, František Šutara, Vladimír Matolín & Kevin C. Prince. (2008) Interface termination and band alignment of epitaxially grown alumina films on Cu–Al alloy. Journal of Applied Physics 103:3.
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Siqi Shi, Shingo Tanaka & Masanori Kohyama. (2007) First‐Principles Investigation of the Atomic and Electronic Structures of α‐Al 2 O 3 (0001)/Ni(111) Interfaces . Journal of the American Ceramic Society 90:8, pages 2429-2440.
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Siqi Shi, Shingo Tanaka & Masanori Kohyama. (2007) First-principles study of the tensile strength and failure of interfaces . Physical Review B 76:7.
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Masanori KohyamaShingo TanakaKazuyuki Okazaki-MaedaTomoki Akita. (2007) Theoretical Studies of the Atomic and Electronic Structure of Nano-Hetero Metal/Inorganic Material Interfaces in Collaboration with Electron Microscopy Observations. MATERIALS TRANSACTIONS 48:4, pages 675-683.
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Siqi Shi, Shingo Tanaka & Masanori Kohyama. (2006) Influence of Interface Structure on Schottky Barrier Heights of &alpha;-Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Ni(111) interfaces: A First-Principles Study. MATERIALS TRANSACTIONS 47:11, pages 2696-2700.
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Shingo TanakaTomoyuki TamuraKazuyuki OkazakiShoji IshibashiMasanori Kohyama. (2006) First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6<I>H</I>-SiC{0001} Interfaces. MATERIALS TRANSACTIONS 47:11, pages 2690-2695.
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