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GSW全文库(39)	馆藏书目(1)	万方学术会议(1)	CNKI学位论文(6607)	知网期刊论文(4168)
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在“Elsevier电子期刊”中，命中：6,378条，耗时：0.1229445 秒

在所有数据库中总计命中：10,886条

1.Temperature dependent phase stability of Ti(C_1−xN_x) solid solutions using first-principles calculations

作者：Jiwoong Kim^a ; ^b ; ^{jwk@kigam.re.kr" class="auth_mail" title="E-mail the corresponding author} ; Hanjung Kwon^a ; ^b ; ^{hanjungkwon@kigam.re.kr" class="auth_mail" title="E-mail the corresponding author} ; Chang Woo Kwon^c ; ^{cwkwon@kigam.re.kr" class="auth_mail" title="E-mail the corresponding author}

关键词：Thermal properties ; Carbides ; Nitrides ; Structural applications ; Thermal applications ; First principles calculations

刊名：Ceramics International

出版年：2017

2.Elastic and thermal properties of refractory high-entropy alloys from first-principles calculations

作者：Huijuan Ge^a ; Fuyang Tian^a ; ^{fuyang@ustb.edu.cn} ; Yang Wang^b

关键词：First-principles calculations ; Refractory high-entropy alloys ; Elastic properties ; Thermal properties

刊名：Computational Materials Science

出版年：2017

3.Iodate in calcite and vaterite: Insights from synchrotron X-ray absorption spectroscopy and first-principles calculations

作者：J. Podder^a ; J. Lin^a ; W. Sun^a ; S.M. Botis^a ; J. Tse^b ; N. Chen^c ; Y. Hu^c ; D. Li^d ; J. Seaman^e ; Y. Pan^a ; ^{yuanming.pan@usask.ca}

关键词：Radionuclides ; Calcite ; Vaterite ; Iodate ; Synchrotron XAS ; First-principles calculations

刊名：Geochimica et Cosmochimica Acta

出版年：2017

4.Anisotropy in elasticity, sound velocities and minimum thermal conductivity of zirconia from first-principles calculations

作者：Jun Yang^a ; Muhammad Shahid^a ; Chunlei Wan^a ; Feng Jing^b ; Wei Pan^a ; ^{panw@mail.tsinghua.edu.cn" class="auth_mail" title="E-mail the corresponding author}

关键词：Ceramics ; Zirconia ; Anisotropy ; First-principles calculations ; Thermal barrier coating

刊名：Journal of the European Ceramic Society

出版年：2017

5.High-performance thermal sensitive W-doped VO₂(B) thin film and its identification by first-principles calculations

作者：Dongyun Wan^a ; Ping Xiong^a ; Lanli Chen^a ; Siqi Shi^a ; ^b ; ^{sqshi@shu.edu.cn} ; Ahmad Ishaq^c ; Hongjie Luo^a ; ^b ; Yanfeng Gao^a ; ^{yfgao@shu.edu.cn}

关键词：VO2(B) thin films ; Tungsten doping ; Uncooled infrared (IR) detector ; First principles study

刊名：Applied Surface Science

出版年：2017

6.Molecular dynamics simulation and first principles calculations of radiation-induced Cu clusters in Fe-3 at.% Cu alloy

作者：Guocai Lv^a ; ^{lvguocai@ustb.edu.cn} ; Yanjing Su^b

关键词：Molecular dynamics ; First principles ; Radiation damage ; Cu cluster

刊名：Computer Physics Communications

出版年：2017

7.Study on Co-doped ZnO comparatively by first-principles calculations and relevant experiments

关键词：ZnCoO ; Magnetism ; Absorption spectrum ; First-principles calculations

刊名：Solid State Communications

出版年：2017

8.Energetics of cobalt alloys and compounds and solute-vacancy binding in fcc cobalt: A first-principles database

作者：S. Shahab Naghavi ; Vinay I. Hegde ; Abhinav Saboo ; C. Wolverton ; ^{c-wolverton@northwestern.edu}

关键词：First-principles calculations ; Solute-vacancy binding ; Cobalt-based superalloys

刊名：Acta Materialia

出版年：2017

9.Characterization of Al-Mg-B-C films based on experimental and first-principles investigations

作者：V.I. Ivashchenko^a ; ^{ivash@materials.kiev.ua} ; S.N. Dub^b ; P.L. Scrynskyy^a ; A.O. Kozak^a ; Leonid Gorb^c ; ^d ; Frances Hill^e ; Jerzy Leszczynski^c

关键词：DC magnetron sputtering ; AlMgB14 ; B4C ; Chemical bonding ; Nanoindentation ; First-principles calculations

刊名：Surface and Coatings Technology

出版年：2017

10.The helium effect at grain boundaries in Fe-Cr alloys: A first-principles study

作者：M.R. Zemła^a ; ^{marcin.zemla@wimpw.edu.pl} ; J.S. Wró ; bel^a ; T. Wejrzanowski^a ; D. Nguyen-Manh^b ; K.J. Kurzydłowski^a

关键词：First-principles calculations ; Iron-chromium ; Grain boundary ; Helium segregation ; Magnetic properties

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2017

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