Insight on the oxidation resistance of UOxNy layers: A density functional study (English)
- New search for: Wang, X.
- New search for: Long, Z.
- New search for: Huang, H.
- New search for: Bin, R.
- New search for: Hu, Y.
- New search for: Luo, L.
- New search for: Liu, K. Z.
- New search for: Zhang, P. C.
- New search for: Wang, X.
- New search for: Long, Z.
- New search for: Huang, H.
- New search for: Bin, R.
- New search for: Hu, Y.
- New search for: Luo, L.
- New search for: Liu, K. Z.
- New search for: Zhang, P. C.
In:
COMPUTATIONAL MATERIALS SCIENCE
;
123
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224-231
;
2016
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ISSN:
- Article (Journal) / Print
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Title:Insight on the oxidation resistance of UOxNy layers: A density functional study
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Contributors:Wang, X. ( author ) / Long, Z. ( author ) / Huang, H. ( author ) / Bin, R. ( author ) / Hu, Y. ( author ) / Luo, L. ( author ) / Liu, K. Z. ( author ) / Zhang, P. C. ( author )
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 123 ; 224-231
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2016-01-01
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Size:8 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 620.1 / 510
- Further information on Dewey Decimal Classification
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Classification:
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Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 123
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Role of effective carrier mass in the photocatalytic efficiency of La-doped NaTaO3Liu, Xiang / Sohlberg, Karl et al. | 2016
- 8
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Spin-orbit and strain effect on power factor in monolayer MoS2Guo, San-Dong et al. | 2016
- 14
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Substrate polarization effect on the band gaps of one-dimensional semiconducting atomic wiresSimbeck, Adam J. / Lanzillo, Nicholas A. / Kharche, Neerav / Nayak, Saroj K. et al. | 2016
- 19
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Interatomic potential for the NiTi alloy and its applicationRen, Guowu / Sehitoglu, Huseyin et al. | 2016
- 26
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Low-cost approximate reconstructing of heterogeneous microstructuresOlchawa, W. / Piasecki, R. / Wiśniowski, R. / Frączek, D. et al. | 2016
- 31
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The outlook for platonic and cubic gauche nitrogensYu, Tao / Lai, Wei-Peng / Liu, Ying-Zhe / Wu, Bo / Ge, Zhong-Xue / Bu, Jian-Hua et al. | 2016
- 40
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Influence of surface roughness on thermal properties of single crystalline Ge thin filmsZhang, Xingli / Wu, Xiande et al. | 2016
- 44
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First-principles simulations of lithiation–deformation behavior in silicon nanotube electrodesChen, Bingbing / Chu, Shiyong / Cai, Rui / Wei, Shenying / Hu, Ruiqin / Zhou, Jianqiu et al. | 2016
- 52
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First-principles prediction of structural, mechanical and magnetic properties in Ni2MnAlYang, Shunming / Kong, Yi / Du, Yong / Shen, Luming / Shen, Yaogen et al. | 2016
- 59
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Predicting an alloying strategy for improving fracture toughness of C15 NbCr2 Laves phase: A first-principles studyLong, Qianxin / Wang, Jianchuan / Du, Yong / Holec, David / Nie, Xiaowu / Jin, Zhanpeng et al. | 2016
- 65
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A binary phase field crystal study for phase segregation of liquid phase heteroepitaxial growthPeng, Yingying / Lu, Yanli / Chen, Zheng / Yu, Genggeng et al. | 2016
- 70
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First-principles investigation of structural, mechanical and electronic properties for Cu–Ti intermetallicsZhu, Y.D. / Yan, M.F. / Zhang, Y.X. / Zhang, C.S. et al. | 2016
- 79
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Electronic structure and optical properties of graphyne-like BN nanotubesYun, Jiangni / Zhang, Yanni / Wang, Keyun / Zhang, Zhiyong et al. | 2016
- 85
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Effects of Cr and W additions on the stability and migration of He in bcc Fe: A first-principles studyLi, Ruihuan / Zhang, Pengbo / Li, Xiaojie / Ding, Jianhua / Wang, Yuanyuan / Zhao, Jijun / Vitos, Levente et al. | 2016
- 93
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Stacking height effect and hydrogen activation calculations on the Co9S8/MoS2 catalyst via computational transition statesGonzalez, Gabriel A. / Alvarado, Manuel / Ramos, Manuel A. / Berhault, Gilles / Chianelli, Russell R. et al. | 2016
- 106
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Replacement micro-mechanism of CH4 hydrate by N2/CO2 mixture revealed by ab initio studiesLiu, Jinxiang / Yan, Yujie / Xu, Jiafang / Li, Shujuan / Chen, Gang / Zhang, Jun et al. | 2016
- 111
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Phase-field models for simulating physical vapor deposition and grain evolution of isotropic single-phase polycrystalline thin filmsStewart, James A. / Spearot, Douglas E. et al. | 2016
- 121
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First-principles study of vacancy, interstitial, noble gas atom interstitial and vacancy clusters in bcc-WHuang, Gui-Yang / Juslin, Niklas / Wirth, Brian D. et al. | 2016
- 131
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Ab initio study of point defects near stacking faults in 3C-SiCXi, Jianqi / Liu, Bin / Zhang, Yanwen / Weber, William J. et al. | 2016
- 139
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Revisiting phase diagrams of two-mode phase-field crystal modelsEmdadi, Arezoo / Asle Zaeem, Mohsen / Asadi, Ebrahim et al. | 2016
- 148
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Modification on theory of sink strength: An Object Kinetic Monte Carlo studyHou, Jie / Kong, Xiang-Shan / Li, Xiang-Yan / Wu, Xuebang / Liu, C.S. / Chen, Jun-Ling / Luo, G.-N. et al. | 2016
- 158
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Ab initio study of structural and electronic properties of single crystal and core/shell II-VI semiconductor nanowiresPeköz, R. et al. | 2016
- 164
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Dominant mechanisms of the sintering of copper nano-powders depending on the crystal misalignmentSeong, Yujin / Kim, Youngkyu / German, Randall / Kim, Sungho / Kim, Seong-Gon / Kim, See Jo / Kim, Hak Jun / Park, Seong Jin et al. | 2016
- 176
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Image driven machine learning methods for microstructure recognitionChowdhury, Aritra / Kautz, Elizabeth / Yener, Bülent / Lewis, Daniel et al. | 2016
- 188
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A novel artificial dual-phase microstructure generator based on topology optimizationHou, Yuliang / Sapanathan, Thaneshan / Dumon, Alexandre / Culière, Pierre / Rachik, Mohamed et al. | 2016
- 201
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Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculationsCasillas-Trujillo, L. / Xu, H. / McMurray, J.W. / Shin, D. / Baldinozzi, G. / Sickafus, K.E. et al. | 2016
- 214
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A comparative study on local atomic configurations characterized by cluster-type-index method and Voronoi polyhedron methodWei, Y.D. / Peng, P. / Yan, Z.Z. / Kong, L.T. / Tian, Z.A. / Dong, K.J. / Liu, R.S. et al. | 2016
- 224
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Insight on the oxidation resistance of UOxNy layers: A density functional studyWang, Xin / Long, Zhong / Huang, He / Bin, Ren / Hu, Yin / Luo, Lizhu / Liu, Ke-Zhao / Zhang, Peng-Cheng et al. | 2016
- 232
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Crystal plasticity analysis of plane strain deformation behavior and texture evolution for pure magnesiumGan, Yuanchao / Song, Weidong / Ning, Jianguo et al. | 2016
- 244
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A model-to-model interface for concurrent multiscale simulationsAntonelli, P.E. / Bryden, K.M. / LeSar, R. et al. | 2016
- 252
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Prediction of the equivalent elastic modulus of mush zone during solidification process coupled with phase field simulationsMa, Pingping / Zhang, Ruijie / Jiang, Xue / Yin, Haiqing / Liu, Guoquan / Qu, Xuanhui et al. | 2016
- 256
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Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocompositeSafronov, I.V. / Shymanski, V.I. / Uglov, V.V. / Kvasov, N.T. / Dorozhkin, N.N. et al. | 2016
- 263
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A simple model to ascertain the initial formation concentration of athermal ω phase in titanium alloysLin, Cheng / Huang, Shixing / Yin, Guili / Zhang, Aimin / Zhao, Zhiwei / Zhao, Yongqing et al. | 2016
- 268
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Optimization of solid oxide fuel cell cathodes using two-point correlation functionsHasanabadi, Ali / Baniassadi, Majid / Abrinia, Karen / Safdari, Masoud / Garmestani, Hamid et al. | 2016
- 277
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The effect of temperature and topological defects on fracture strength of grain boundaries in single-layer polycrystalline boron-nitride nanosheetAbadi, Rouzbeh / Uma, Raahul Palanivel / Izadifar, Mohammadreza / Rabczuk, Timon et al. | 2016
- 287
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Lattice dynamical and thermodynamic properties of FeNi3, FeNi and Fe3Ni invar materialsPandya, N.Y. / Mevada, A.D. / Gajjar, P.N. et al. | 2016
- IFC
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IFC| 2016