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Multiscale simulations toward calculating coercivity of Nd-Fe-B permanent magnets at high temperatures
2019/08/10
New Publication in “Physical Review Materials”
A computational scheme integrating the atomistic spin model (ASM) and micromagnetic simulations is proposed to predict the coercivity of Nd-Fe-B permanent magnets at high temperatures. ASM simulations are applied to calculate the temperature-dependent intrinsic parameters of Nd2Fe14B, including the saturated magnetization, magnetocrystalline anisotropy, and exchange stiffness, which are shown to agree well with the experimental values. …
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3D non-isothermal phase-field simulation of microstructure evolution during selective laser sintering
2019/08/10
New Publication in “npj Computational Materials”
In this work, we present a three-dimensional finite element phase-field simulation of the SLS single scan, and revealed the process-microstructure relation. We use a thermodynamically consistent non-isothermal phase-field model including various physics (i.e. partial melting, pore structure evolution, diffusion, grain boundary migration, and coupled heat transfer), and interaction of powder bed and laser power absorption. …
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Calculating temperature-dependent properties of Nd2Fe14B permanent magnets by atomistic spin model simulations
2019/06/03
New Publication in “Physical Review B”
We construct the atomistic spin model Hamiltonian for Nd2Fe14B by using the Heisenberg exchange of Fe−Fe and Fe−Nd atomic pairs, the uniaxial single-ion anisotropy of Fe atoms, and the crystal-field energy of Nd ions, which is approximately expanded into an energy formula featured by second-, fourth-, and sixth-order phenomenological anisotropy constants. …
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Tortuosity but not percolation: design of exfoliated graphite nanocomposite coatings for extended corrosion protection of aluminum alloys
2019/06/02
New Publication in “ACS Applied Nano Materials”
In this article, we explore the corrosion resistance afforded to aluminum alloy AA7075 substrates by unfunctionalized exfoliated graphite nanocomposite coatings as a function of the exfoliated graphite loading. …
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Farewell Banquet in the Division Mechanics of functional Materials
2019/05/17
Congradulation and farewell for Dr. Min Yi and his future career as a professor under the Thousand Youth Talents Program in Nanjing University of Aeronautics and Astronautics (NUAA). …
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Phase-field modeling of non-isothermal grain coalescence in the unconventional sintering techniques
2019/04/29
Upcoming Work
In this work, a non-isothermal phase-field model is developed based on the entropy analysis, which includes contributions from the internal energy (induced by the change of temperature and order parameters) and the order parameter related configurational entropy. It is anticipated that the work could provide a contribution to the research community of unconventional sintering techniques that can be used to model the non-isothermal related microstructural features. …
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Computational study on microstructure evolution andmagnetic property of laser additively manufactured magnetic materials
2019/03/20
New Publication in “Computational Mechanics”
In this work, we will present the first attempt to computationally study the microstructure evolution and magnetic properties of magnetic materials (e.g. Fe–Ni alloys) processed by selective laser melting (SLM). The evolution and distribution of the γ -Fe–Ni and FeNi3 phase fractions are predicted by using the temperature information from FEA and the output from CALculation of PHAse Diagrams (CALPHAD).
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Two-level modeling of lithium-ion batteries
2019/03/08
New Publication in “Journal of Power Sources”
In this work, we propose a two-level framework, which extends the P2D cell model and incorporates a mechanically coupled phase-field Cahn–Hilliard diffusion model of active particles. …
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8th GACM Colloquium on Computational Mechanics (GACM 2019) on Aug. 28th-30th
2019/03/01
Bai-Xiang Xu and Marc-André Keip are organizing the Mini-Symposia entitled “MS22: Recent Trends in Phase-Field Modeling: Theory, Numerics, Applications” in 8th GACM Colloquium on Computational Mechanics (GACM 2019) in Kassel on Aug. 28th-30th.
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Graduation in the Division Mechanics of functional Materials
2019/01/16
We congratulate our colleague Shuai Wang to the successful dissertation of his PhD thesis “Phase-Field Modeling of Relaxor Ferroelectrics and Related Composite”.