Understanding iron and its alloys from first principles

被引：16
|
作者：
Entel, P [1 ]
Herper, HC
Hoffmann, E
Nepecks, G
Wassermann, EF
Acet, M
Crisan, V
Akai, H
机构：
[1] Univ Duisburg Gesamthsch, D-47048 Duisburg, Germany
[2] Univ Munich, Inst Phys Chem, D-81377 Munich, Germany
[3] Osaka Univ, Dept Phys, Osaka 5600043, Japan
来源：
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES | 2000年 / 80卷 / 02期
关键词：
D O I：
10.1080/13642810008208603
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Fe and its alloys in the fee structure reveal a variety of phases which, depending on the composition and temperature, show Invar and anti-Invar effects as well as martensitic transformations and shape memory effects. The variety of phases and the involvement of magnetic order on the structural stability will be discussed on the basis of nb initio calculations.
引用
收藏
页码：141 / 153
页数：13
相关论文
共 50 条
  • [31] Stability of δ-Pu alloys from first-principles theory
    Landa, A
    Söderlind, P
    JOURNAL OF ALLOYS AND COMPOUNDS, 2003, 354 (1-2) : 99 - 103
  • [32] Precipitation Strengthening in Titanium Alloys from First Principles Investigation
    Cheng Kun
    Chen Shuming
    Cao Shuo
    Liu Jianrong
    Ma Yingjie
    Fan Qunbo
    Cheng Xingwang
    Yang Rui
    Hu Qingmiao
    ACTA METALLURGICA SINICA, 2024, 60 (04) : 537 - 547
  • [33] Solute strengthening from first principles and application to aluminum alloys
    Leyson, G. P. M.
    Hector, L. G., Jr.
    Curtin, W. A.
    ACTA MATERIALIA, 2012, 60 (09) : 3873 - 3884
  • [34] Defective structures in FeCrAl alloys from first principles calculations
    Shi, Diwei
    Song, Jiexi
    Liu, Zhen
    Li, Hanchao
    Bu, Moran
    Li, Yifan
    Zhang, Biao
    Chen, Xinyu
    Yan, Tao
    Qin, Yanqing
    Guo, Yaolin
    Du, Shiyu
    JAPANESE JOURNAL OF APPLIED PHYSICS, 2020, 59 (04)
  • [35] Tetragonality of carbon-doped ferromagnetic iron alloys: A first-principles study
    Al-Zoubi, N.
    Skorodumova, N. V.
    Medvedeva, A.
    Andersson, J.
    Nilson, G.
    Johansson, B.
    Vitos, L.
    PHYSICAL REVIEW B, 2012, 85 (01)
  • [36] Understanding speciation and solvation of glyphosate from first principles simulations
    Windom, Zachary W.
    Datta, Mayukh
    Huda, Md Masrul
    Sabuj, Md Abdus
    Rai, Neeraj
    JOURNAL OF MOLECULAR LIQUIDS, 2022, 365
  • [37] Understanding and Optimization of Hard Magnetic Compounds from First Principles
    Miyake T.
    Harashima Y.
    Fukazawa T.
    Akai H.
    Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy, 2022, 69 : S99 - S108
  • [38] Understanding and optimization of hard magnetic compounds from first principles
    Miyake, Takashi
    Harashima, Yosuke
    Fukazawa, Taro
    Akai, Hisazumi
    SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2021, 22 (01) : 543 - 556
  • [39] Understanding the cubic AlN growth plane from first principles
    Rauls, E.
    Wiebe, J.
    Schmidt, W. G.
    JOURNAL OF CRYSTAL GROWTH, 2010, 312 (20) : 2892 - 2895
  • [40] Understanding ceria nanoparticles from first-principles calculations
    Loschen, Christoph
    Bromley, Stefan T.
    Neyman, Konstantin M.
    Illas, Francesc
    JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (28): : 10142 - 10145
12345