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Multiscale materials computational methods
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Science & Technology Review | 2015, 33(10) : 20 - 30
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Science & Technology Review | 2015, 33(10): 20-30
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Multiscale materials computational methods
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SHI Siqi1,2, XU Jiwei1, CUI Yanhua3, LU Xiaogang2, OUYANG Chuying4, ZHANG Yanshu5, ZHANG Wenqing2
Affiliations
    1. School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;
    2. Materials Genome Institute, Shanghai University, Shanghai 200444, China;
    3. Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang 621000, China;
    4. Department of Physics, Jiangxi Normal University, Nanchang 330022, China;
    5. Advanced Manufacturing Technology Center, China Academy of Machinery Science & Technology, Beijing 100083, China
Published: 2015-05-28 doi: 10.3981/j.issn.1000-7857.2015.10.002
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Multiscale models and simulations play a significant role in the "Materials Genome Initiative". This article reviews computational methods at spatial scale from quantum to microscopy, mesoscopy, and macroscopy, and at temporal scale from picosecond to nanosecond, and microsecond. The corresponding techniques ranging from first- principles calculation to molecular dynamics, macroscopic thermodynamics/kinetics models and simulations, and finite element methods are introduced.
materials genome  /  integrated materials computation  /  materials design
施思齐, 徐积维, 崔艳华, 鲁晓刚, 欧阳楚英, 张艳姝, 张文清. 多尺度材料计算方法. 科技导报, 2015 , 33 (10) : 20 -30 . DOI: 10.3981/j.issn.1000-7857.2015.10.002
SHI Siqi, XU Jiwei, CUI Yanhua, LU Xiaogang, OUYANG Chuying, ZHANG Yanshu, ZHANG Wenqing. Multiscale materials computational methods[J]. Science & Technology Review, 2015 , 33 (10) : 20 -30 . DOI: 10.3981/j.issn.1000-7857.2015.10.002
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Article Info
doi: 10.3981/j.issn.1000-7857.2015.10.002
  • Receive Date：2015-04-02
  • Online Date：2015-05-26
  • Published：2015-05-28
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  • Received：2015-04-02
  • Revised：2015-04-16
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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