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在“Elsevier电子期刊”中，命中：657条，耗时：0.0119893 秒

在所有数据库中总计命中：1,128条

1.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

2.A combined experimental and theoretical study of enthalpy of phase transition and fusion of yttria above 2000 °C using “drop-n-catch” calorimetry and first-principles calculation

作者：D. Kapush^a ; S.V. Ushakov^a ; A. Navrotsky^a ; ^{anavrotsky@ucdavis.edu} ; Q.-J. Hong^b ; H. Liu^b ; A. van de Walle^b

关键词：Aerodynamic levitation ; Enthalpy ; First-principles calculation ; Thermodynamics ; Yttria

刊名：Acta Materialia

出版年：2017

3.First-principles calculations and thermodynamic modeling of the S-Se system and implications for chalcogenide alloys

作者：Pin-Wen Guan^a ; ^{pxg928@psu.edu} ; Shun-Li Shang^a ; Greta Lindwall^a ; ¹ ; Tim Anderson^b ; Zi-Kui Liu^a

关键词：First principles ; Thermodynamics ; Chalcogenide alloys ; Theory ; Molecular crystal

刊名：Journal of Alloys and Compounds

出版年：2017

4.Plasticity coupled with thermo-electric fields: Thermodynamics framework and finite element method computations

作者：Pablo Moreno-Navarro^a ; ^{pablo.moreno-navarro@utc.fr} ; Adnan Ibrahimbegovic^a ; ^{adnan.ibrahimbegovic@utc.fr} ; José ; L. Pé ; rez-Aparicio^b

关键词：Thermo&ndash ; electro-mechanics coupling ; Plasticity ; Thermodynamics ; Finite element formulation

刊名：Computer Methods in Applied Mechanics and Engineering

出版年：2017

5.A unified description of ordering in HCP Mg-RE alloys

关键词：Magnesium alloys ; Rare-earth ; Precipitation ; First-principles ; Thermodynamics

刊名：Acta Materialia

出版年：2017

6.Outline of principles for building scenarios - Transition toward more sustainable energy systems

作者：Ziyi Wang ; Ronald Wennersten ; Qie Sun ; ^{qie@sdu.edu.cn}

关键词：Energy system ; Scenarios ; Energy transition ; Technology development ; Evolutionary forecasting

刊名：Applied Energy

出版年：2017

7.Implicit integration of simple breakage constitutive model for crushable granular materials: A numerical test

作者：Chunshun Zhang^a ; ^b ; ^{ivan.zhang@monash.edu} ; Jian Ji^b ; Sheng-Qi Yang^a ; Jayantha Kodikara^b

关键词：Breakage mechanics ; Simple breakage model ; Backward Euler return algorithm ; FEA ; Granular materials

刊名：Computers and Geotechnics

出版年：2017

8.A comparison of interatomic potentials for modeling tungsten nanocluster structures

作者：Jiannan Hao ; Xiaolin Shu ; ^{shuxlin@buaa.edu.cn} ; Shuo Jin ; Xuesong Zhang ; Ying Zhang ; Guang-Hong Lu

关键词：Nanocluster ; Tungsten ; Interatomic potential ; Molecular dynamics

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

出版年：2017

9.Lattice dynamics, thermodynamics and elastic properties of C22-Zr₆FeSn₂ from first-principles calculations

作者：Xuan-Kai Feng^a ; Siqi Shi^a ; ^b ; ^{sqshi@shu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Jian-Yun Shen^c ; Shun-Li Shang^d ; Mei-Yi Yao^a ; ^{yaomeiyi@shu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Zi-Kui Liu^d

关键词：C22-Zr6FeSn2 ; Phonon ; Thermodynamics ; Elasticity ; First-principles calculations

刊名：Journal of Nuclear Materials

出版年：2016

10.Phase transition, thermodynamics properties and IR spectrum of α- and γ-RDX: First principles and MD studies

作者：Jiaonan Yuan^a ; ^b ; Guangfu Ji^a ; ^{cyfjkf@caep.ac.cn" class="auth_mail" title="E-mail the corresponding author} ; Xiangrong Chen^b ; ^{xrchen@scu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Dongqing Wei^c ; ^d ; Feng Zhao^a ; Qiang Wu^a

关键词：RDX ; First principles ; MD ; Phase transition ; Thermodynamics properties ; IR spectrum

刊名：Chemical Physics Letters

出版年：2016

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