Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we hav...Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.展开更多
The elastic, magnetoelastic, and phonon properties of Ni2FeGa were investigated through first-principles calculations. The obtained elastic and phonon dispersion curves for the austenite and martensite phases agree we...The elastic, magnetoelastic, and phonon properties of Ni2FeGa were investigated through first-principles calculations. The obtained elastic and phonon dispersion curves for the austenite and martensite phases agree well with available the- oretical and experimental results. The isotropic elastic moduli are also predicted along with the polycrystalline aggregate properties including the bulk modulus, shear modulus, Young＇s modulus, and Poisson＇s ratio. The Pugh ratio indicates that Ni2FeGa shows ductility, especially the austenite phase, which is consistent with the experimental results. The Debye tem- peratures of the Ni2FeGa in the austenite and martensite phases are 344 K and 392 K, respectively. It is predicted that the magnetoelastic coefficient is -5.3 x 10^6 J/m3 and magnetostriction coefficient is between 135 and 55 ppm in the Ni2FeGa austenite phase.展开更多
The magnetic properties and magnetization reversible processes of Llo FePt （3 nm）/Pb（Mg1/3Nb2/3）O3-PbTiO3 （PMN-PT） heterostructure were investigated by using the phase field model. The simulation results show th...The magnetic properties and magnetization reversible processes of Llo FePt （3 nm）/Pb（Mg1/3Nb2/3）O3-PbTiO3 （PMN-PT） heterostructure were investigated by using the phase field model. The simulation results show that the magnetic coercivities and magnetic domains evolution in the Llo FePt thin film are significantly influenced by the compressive strains stemming from the polarization of single crystal PMN-PT substrate under an applied electric field. It is found that the magnetic coercivities increase with increasing of the compressive strain. A large compressive strain is beneficial to aligning the magnetic moments along the out-of-plane direction and to the enhancement of perpendicular magnetic anisotropy. The variations of magnetic energy densities show that when compressive strains are different at the magnetization reversible processes, the magnetic anisotropy energies and the magnetic exchange energies firstly increase and then decrease, the negative demagnetization energy peaks appear at coercivities fields, and the magnetoelastic energies are invariable at large external magnetic field with the energy maximum appearing at coercivities fields. The variations of the magnetoelastic energies bring about the perpendicular magnetic anisotropy so that the magnetoelastic energy is lower at the large external magnetic fields, whereas the appearance of magnetoelastic energy peaks is due to the magnetization-altered direction from the normal direction of the plane of the Llo FePt thin film at coercivities fields.展开更多
The ability to control magnetic vortex is critical for their potential applications in spintronic devices.Traditional methods including magnetic field,spin-polarized current etc.have been used to flip the core and/or ...The ability to control magnetic vortex is critical for their potential applications in spintronic devices.Traditional methods including magnetic field,spin-polarized current etc.have been used to flip the core and/or reverse circulation of vortex.However,it is challenging for deterministic electric-field control of the single magnetic vortex textures with time-reversal broken symmetry and no planar magnetic anisotropy.Here it is reported that a deterministic reversal of single magnetic vortex circulation can be driven back and forth by a space-varying strain in multiferroic heterostructures,which is controlled by using a bi-axial pulsed electric field.Phase-field simulation reveals the mechanism of the emerging magnetoelastic energy with the space variation and visualizes the reversal pathway of the vortex.This deterministic electric-field control of the single magnetic vortex textures demonstrates a new approach to integrate the low-dimensional spin texture into the magnetoelectric thin film devices with low energy consumption.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos.U2230401,U1930401,and 12004048)the National Key Research and Development Program of China (Grant No.2021YFB3501503)+1 种基金the Science Challenge Project (Grant No.TZ2018002)the Foundation of LCP。
文摘Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11174030 and 11504020)the Fundamental Research Funds for the Central Universities of China(Grant No.FRF-TP-16-064A1,06500031)
文摘The elastic, magnetoelastic, and phonon properties of Ni2FeGa were investigated through first-principles calculations. The obtained elastic and phonon dispersion curves for the austenite and martensite phases agree well with available the- oretical and experimental results. The isotropic elastic moduli are also predicted along with the polycrystalline aggregate properties including the bulk modulus, shear modulus, Young＇s modulus, and Poisson＇s ratio. The Pugh ratio indicates that Ni2FeGa shows ductility, especially the austenite phase, which is consistent with the experimental results. The Debye tem- peratures of the Ni2FeGa in the austenite and martensite phases are 344 K and 392 K, respectively. It is predicted that the magnetoelastic coefficient is -5.3 x 10^6 J/m3 and magnetostriction coefficient is between 135 and 55 ppm in the Ni2FeGa austenite phase.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11474167,51701091,and 11504020)the Start-up Funds of NUIST,China(Grant Nos.2243141601035 and 2243141601018)
文摘The magnetic properties and magnetization reversible processes of Llo FePt （3 nm）/Pb（Mg1/3Nb2/3）O3-PbTiO3 （PMN-PT） heterostructure were investigated by using the phase field model. The simulation results show that the magnetic coercivities and magnetic domains evolution in the Llo FePt thin film are significantly influenced by the compressive strains stemming from the polarization of single crystal PMN-PT substrate under an applied electric field. It is found that the magnetic coercivities increase with increasing of the compressive strain. A large compressive strain is beneficial to aligning the magnetic moments along the out-of-plane direction and to the enhancement of perpendicular magnetic anisotropy. The variations of magnetic energy densities show that when compressive strains are different at the magnetization reversible processes, the magnetic anisotropy energies and the magnetic exchange energies firstly increase and then decrease, the negative demagnetization energy peaks appear at coercivities fields, and the magnetoelastic energies are invariable at large external magnetic field with the energy maximum appearing at coercivities fields. The variations of the magnetoelastic energies bring about the perpendicular magnetic anisotropy so that the magnetoelastic energy is lower at the large external magnetic fields, whereas the appearance of magnetoelastic energy peaks is due to the magnetization-altered direction from the normal direction of the plane of the Llo FePt thin film at coercivities fields.
基金supported by the National Key Research and Development Program of China(2016YFA0302300 and 2017YFA0206200)Basic Science Center Program of the National Natural Science Foundation of China(51788104)+5 种基金National Natural Science Foundation of China(11974052,51972028)Beijing Natural Science Foundation(Z190008)Chinese Academy of Sciences Interdisciplinary Innovation Teamfunded by the Director,Office of Science,Office of Basic Energy Sciences,Materials Science and Engineering Department of the US Department of Energy(DOE)in the Quantum Materials Program(KC2202)under Contract No.DEAC02-05CH11231the support by the Science Alliance Joint Directed Research&Development Programthe Transdisciplinary Academy Program at the University of Tennessee。
文摘The ability to control magnetic vortex is critical for their potential applications in spintronic devices.Traditional methods including magnetic field,spin-polarized current etc.have been used to flip the core and/or reverse circulation of vortex.However,it is challenging for deterministic electric-field control of the single magnetic vortex textures with time-reversal broken symmetry and no planar magnetic anisotropy.Here it is reported that a deterministic reversal of single magnetic vortex circulation can be driven back and forth by a space-varying strain in multiferroic heterostructures,which is controlled by using a bi-axial pulsed electric field.Phase-field simulation reveals the mechanism of the emerging magnetoelastic energy with the space variation and visualizes the reversal pathway of the vortex.This deterministic electric-field control of the single magnetic vortex textures demonstrates a new approach to integrate the low-dimensional spin texture into the magnetoelectric thin film devices with low energy consumption.
