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Title: Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

Abstract

The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5–7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5–7 at atomistic and nano scales. The alnico 5–7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at low temperature. The boundary between these two phases is quite sharp (∼2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. A small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5–7 couldmore » be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. The results from our Monte Carlo simulations are consistent with available experimental results.« less

Authors:
; ; ;  [1]
  1. Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)
Publication Date:
OSTI Identifier:
22413204
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 9; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALNICO ALLOYS; ANNEALING; CLUSTER EXPANSION; COMPUTERIZED SIMULATION; ENERGY MODELS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETISM; MONTE CARLO METHOD; PERFORMANCE; PERMANENT MAGNETS; RARE EARTHS; TEMPERATURE DEPENDENCE

Citation Formats

Nguyen, Manh Cuong, E-mail: mcnguyen@ameslab.gov, Zhao, Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets. United States: N. p., 2015. Web. doi:10.1063/1.4914036.
Nguyen, Manh Cuong, E-mail: mcnguyen@ameslab.gov, Zhao, Xin, Wang, Cai-Zhuang, & Ho, Kai-Ming. Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets. United States. doi:10.1063/1.4914036.
Nguyen, Manh Cuong, E-mail: mcnguyen@ameslab.gov, Zhao, Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Sat . "Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets". United States. doi:10.1063/1.4914036.
@article{osti_22413204,
title = {Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets},
author = {Nguyen, Manh Cuong, E-mail: mcnguyen@ameslab.gov and Zhao, Xin and Wang, Cai-Zhuang and Ho, Kai-Ming},
abstractNote = {The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5–7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5–7 at atomistic and nano scales. The alnico 5–7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at low temperature. The boundary between these two phases is quite sharp (∼2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. A small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5–7 could be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. The results from our Monte Carlo simulations are consistent with available experimental results.},
doi = {10.1063/1.4914036},
journal = {Journal of Applied Physics},
number = 9,
volume = 117,
place = {United States},
year = {Sat Mar 07 00:00:00 EST 2015},
month = {Sat Mar 07 00:00:00 EST 2015}
}