Magnetic instability criterion for spin–lattice systems

Shimada, Takahiro; Ouchi, Kenji; Ikeda, Ichiro; Ishii, Yoshiyuki; Kitamura, Takayuki

doi:10.1016/j.commatsci.2014.10.040

Cited by 11 publications

(6 citation statements)

References 37 publications

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“…This gives rise to the decrease of the potential energy of the simulation cell. According to Equation (12), the eigenvalue will decrease with the increase of displacement, which is indicated in Figure 8c.…”

Section: The Instability Criterion For a Bicrystal With A Symmetric Tmentioning

confidence: 93%

“…where D is the cohesive energy coefficient, A is the gradient coefficient of the potential energy curve, and r 0 is the atomic distance at zero intermolecular forces. Then, take the first and second derivative of Equation (12), respectively.…”

Section: Derivation Of the Minimum Eigenvalue Of Matrix Amentioning

confidence: 99%

“…Kitamura et al [7,8] and Miller et al [9] proposed a new instability criterion sequentially related to only the interatomic potential independent of the order of the continuous body. This instability criterion has been widely used for different systems [10][11][12][13]. Yan et al [10] proposed a mechanical instability criterion of arbitrary dislocation structures based on this method.…”

Section: Introductionmentioning

confidence: 99%

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The Instability Criterion for Bicrystal at Nanoscale

Yuan

Shan

et al. 2018

Metals

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Atomistic simulations are performed to predict the plastic yield using the instability criterion under thermal effect. The results show the instability criterion is applicable at low temperature (0~100 K) and invalid at a higher temperature (>200 K) due to the influence of thermal vibration. The tensile stress, minimum eigenvalue of matrix A, and atom configurations are compared to investigate the instability criterion in bicrytals. The instability criterion can successfully capture the plastic deformation initiation for bicrystal at 0 K.

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Section: The Instability Criterion For a Bicrystal With A Symmetric Tmentioning

confidence: 93%

Section: Derivation Of the Minimum Eigenvalue Of Matrix Amentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The Instability Criterion for Bicrystal at Nanoscale

Yuan

Shan

et al. 2018

Metals

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“…Here SLD simulations may prove useful. This technique has been used to study magnetism in Fe nanoparticles, the effect of vacancies on spin waves, the influence of magnetism on phase transitions, and other phenomena [12][13][14][15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Meyer¹,

Valencia²,

Santos³

et al. 2022

Preprint

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Spin-lattice dynamics is used to study the magnetic properties of Fe foams. The temperature dependence of the magnetization in foams is determined as a function of the fraction of surface atoms in foams, n surf . The Curie temperature of foams decreases approximately linearly with n surf , while the critical exponent of the magnetization increases considerably more strongly. If the data are plotted as a function of the fraction of surface atoms, reasonable agreement with recent data on vacancy-filled Fe crystals and novel data on void-filled crystals is observed for the critical temperature. Critical temperature and critical exponent also depend on the coordination of surface atoms. Although the decrease we find is relatively small, it hints to the possibility of improved usage of topology to taylor magnetic properties.

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“…Later on, a numerical methodology coupling MD and ASD by explicitly treating atomic and spin degrees of freedom as well as their coupling through a magneto-elastic Hamiltonian, was presented by Ma et al [30]. During the last few years, a large number of investigations have been carried out applying molecular dynamics coupled to spin dynamics simulations (MD-SD) in order to explain experiments of magnetic instability [31], demagnetization, impact of temperature on magneto-mechanical properties and phase transitions [21,32]. This includes the development of a new software for the implementation of the model, SPILADY [33].…”

Section: Introductionmentioning

confidence: 99%

Size- and temperature-dependent magnetization of iron nanoclusters

et al. 2020

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The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. Finite-size effects in the total magnetization as well as the influence of the free surface and the surface/core proportion of the nanoclusters are analyzed in detail for a wide temperature range, going beyond the cluster and bulk Curie temperatures. Comparison is made with experimental data and with theoretical models based on the mean-field Ising model adapted to small clusters, and taking into account the influence of low coordinated spins at free surfaces. Our results for the temperature dependence of the average magnetization per atom M(T ), including the thermalization of the transnational lattice degrees of freedom, are in very good agreement with available experimental measurements on small Fe nanoclusters. In contrast, significant discrepancies with experiment are observed if the translational degrees of freedom are artificially frozen. The finite-size effects on M(T ) are found to be particularly important near the cluster Curie temperature. Simulated magnetization above the Curie temperature scales with cluster size as predicted by models assuming short-range magnetic ordering. Analytical approximations to the magnetization as a function of temperature and size are proposed.

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Magnetic instability criterion for spin–lattice systems

Cited by 11 publications

References 37 publications

The Instability Criterion for Bicrystal at Nanoscale

The Instability Criterion for Bicrystal at Nanoscale

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Size- and temperature-dependent magnetization of iron nanoclusters

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