Multi-scale simulations of metamagnetic martensite transition in NiCoMnIn

被引:5
|
作者
Huang, H. B. [1 ]
He, W. Q. [1 ]
Cao, G. P. [1 ]
Wang, J. J. [1 ]
Liu, Z. H. [1 ]
Ma, X. Q. [1 ]
机构
[1] Univ Sci & Technol Beijing, Dept Phys, Beijing 100083, Peoples R China
基金
美国国家科学基金会;
关键词
Phase field simulations; Metamagnetic transition; NiCoMnIn; Magnetostructural coupling; PHASE-FIELD MODEL; ALLOYS; ENERGY;
D O I
10.1016/j.jallcom.2016.08.015
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A multi-scale theoretical model is performed to investigate magnetic field-induced metamagnetic martensite transition in NiCoMnIn alloys. First, the total energy is calculated to demonstrate antiferromagnetic-ferromagnetic transition from first principle calculation. Second, the transition temperature from antiferromagnetic to ferromagnetic can be tuned by the external magnetic field and hydrostatic pressure in thermodynamic calculation, which is consistent with experimental results. Third, phase field simulation found that martensite variant boundaries are superposed with the 90 degrees antiferromagnetic magnetic domain walls, revealing magneto-structural coupling between structural and magnetic domain structures. It is demonstrated that this multi-scale model is very effective for describing antiferromagnetic-ferromagnetic accompanied with martensite-austenite transitions with magnetostructural coupling. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:507 / 511
页数:5
相关论文
共 50 条
  • [1] Distributed Coupling for Multi-Scale Simulations
    Klimach, H.
    Roller, S.
    PROCEEDINGS OF THE SECOND INTERNATIONAL CONFERENCE ON PARALLEL, DISTRIBUTED, GRID AND CLOUD COMPUTING FOR ENGINEERING, 2011, 95
  • [2] Nano mechanics and multi-scale simulations
    Chong, KP
    COMPUTATIONAL MECHANICS, PROCEEDINGS, 2004, : 265 - 270
  • [3] Multi-scale simulations of functional materials
    Li, Youyong
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [4] Multi-Scale Simulations of Semiconductor Nanostructures
    Zielinski, M.
    ACTA PHYSICA POLONICA A, 2012, 122 (02) : 312 - 315
  • [5] Applications of FE Multi-Scale Simulations in Microelectronics
    van Silfhout, Richard
    Viegers, Thijs
    EUROSIME 2009: THERMAL, MECHANICAL AND MULTI-PHYSICS SIMULATION AND EXPERIMENTS IN MICRO-ELECTRONICS AND MICRO-SYSTEMS, 2009, : 34 - 34
  • [6] On the convergence of multi-scale free energy simulations
    Koenig, Gerhard
    Brooks, Bernard R.
    Thiel, Walter
    York, Darrin M.
    MOLECULAR SIMULATION, 2018, 44 (13-14) : 1062 - 1081
  • [7] Convergence of (multi-scale) free energy simulations
    Koenig, Gerhard
    York, Darrin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [8] Multi-scale Simulations for Laser Plasma Physics
    Nagatomo, Hideo
    Johzaki, Tomoyuki
    Mima, Kunioki
    Sakagami, Hitoshi
    HIGH PERFORMANCE COMPUTING ON VECTOR SYSTEMS 2009, 2010, : 243 - +
  • [9] MULTI-SCALE MODELS AND SIMULATIONS OF NUCLEAR FUELS
    Stan, Marius
    NUCLEAR ENGINEERING AND TECHNOLOGY, 2009, 41 (01) : 39 - 52
  • [10] Multi-scale initial conditions for cosmological simulations
    Hahn, Oliver
    Abel, Tom
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2011, 415 (03) : 2101 - 2121