arXiv subjects

Min Yi

Publications and source records attributed to Min Yi.

At least 19 recordsLinked to original sources

arXiv2026

Chiral Phonons Enable Ultrafast Magnetization Switching via Magnetoelastic Coupling

Phonons are desirable for current-free energy-efficient spin manipulation and harnessing their chirality to achieve ultrafast magnetization switching remains actively pursued. Here we demonstrate that terahertz-driven chiral phonons enable faster magnetization switching than linear phonons through the purely magnetoelastic coupling that transfers both energy and angular momentum. Only one phonon handedness efficiently transfers angular momentum to the spin system, which we explain by a large fictitious kinematic Barnett-like field at THz frequencies that destabilizes spin precession for the opposite chirality. Considering different regions of the spinwave spectrum, we find that switching conditions can be realized near the {\Gamma}-point where strong energy transfer and spinwave excitation dominate, and near the P-point which offers minimal energy loss. Our results establish phonon chirality as a decisive and previously overlooked parameter in spin-lattice dynamics within the magnetoelastic coupling mechanism, offering a promising avenue for ultrafast low-energy spintronic devices.

cond-mat.mtrl-sci↗

arXiv2026

Thermo-mechanically coupled phase-field fracture model considering elastocaloric effect of shape memory alloy

Modelling fracture behavior of the shape memory alloy (SMA) that interacts with martensitic transformation and the associated elastocaloric effect (eCE) still remains challenging. Herein, a thermo-mechanically coupled phase-filed fracture model considering elastocaloric effect of SMA is proposed to simulate the cracking process coupled with the non-isothermal martensitic transformation and the associated eCE. In the phase-field model, both the thermal strain induced by eCE and the eigen strain induced by the phase transition are considered. An empirical degradation function is adopted to describe the thermal conductivity decreasing with the fracture order parameter. The model is validated with the finite element method and tensile fracture properties of Mn-Cu SMA are simulated. It is found that the martensite variant nucleates at the stress concentration where the crack initiates, and commonly spreads with an angle of 45 degree. The thermal expansion strain caused by the eCE could strengthen the critical load capacity. A large kinetic parameter for phase transition and the large orientation angle could enhance the strength and temperature change of eCE while the deformation capacity is reduced. The phase-field model demonstrates its ability in the thermal-mechanically coupled toughening of SMA. It also provides a possible fracture-resistance strategy by the utilization of eCE for elastocaloric devices.

cond-mat.mtrl-sci↗

arXiv2023

A holistic review on fatigue properties of additively manufactured metals

Additive manufacturing (AM) technology is undergoing rapid development and emerging as an advanced technique that can fabricate complex near-net shaped and light-weight metallic parts with acceptable strength and fatigue performance. A number of studies have indicated that the strength or other mechanical properties of AM metals are comparable or even superior to that of conventionally manufactured metals, but the fatigue performance is still a thorny problem that may hinder the replacement of currently used metallic components by AM counterparts when the cyclic loading and thus fatigue failure dominates. This article reviews the state-of-art published data on the fatigue properties of AM metals, principally including $S$--$N$ data and fatigue crack growth data. The AM techniques utilized to generate samples in this review include powder bed fusion (e.g., EBM, SLM, DMLS) and directed energy deposition (e.g., LENS, WAAM). Further, the fatigue properties of AM metallic materials that involve titanium alloys, aluminum alloys, stainless steel, nickel-based alloys, magnesium alloys, and high entropy alloys, are systematically overviewed. In addition, summary figures or tables for the published data on fatigue properties are presented for the above metals, the AM techniques, and the influencing factors (manufacturing parameters, e.g., built orientation, processing parameter, and post-processing). The effects of build direction, particle, geometry, manufacturing parameters, post-processing, and heat-treatment on fatigue properties, when available, are provided and discussed. The fatigue performance and main factors affecting the fatigue behavior of AM metals are finally compared and critically analyzed, thus potentially providing valuable guidance for improving the fatigue performance of AM metals.

cond-mat.mtrl-sci↗

arXiv2023

Magnetocaloric effect and its electric-field regulation in CrI$_3$/metal heterostructure

The extraordinary properties of a heterostructure by stacking atom-thick van der Waals (vdW) magnets have been extensively studied. However, the magnetocaloric effect (MCE) of heterostructures that are based on monolayer magnets remains to be explored. Herein, we deliberate MCE of vdW heterostructure composed of a monolayer CrI$_3$ and metal atomic layers (Ag, Hf, Au, and Pb). It is revealed that heterostructure engineering by introducing metal substrate can improve MCE of CrI$_3$, particularly boosting relative cooling power to 471.72 $\mu$Jm$^{-2}$ and adiabatic temperature change to 2.1 K at 5 T for CrI$_3$/Hf. This improved MCE is ascribed to the enhancement of magnetic moment and intralayer exchange coupling in CrI$_3$ due to the CrI$_3$/metal heterointerface induced charge transfer. Electric field is further found to tune MCE of CrI$_3$ in heterostructures and could shift the peak temperature by around 10 K in CrI$_3$/Hf, thus manipulating the working temperature window of MCE. The discovered electric-field and substrate regulated MCE in CrI$_3$/metal heterostructure opens new avenues for low-dimensional magnetic refrigeration.

cond-mat.mtrl-sci↗

arXiv2023

Machine learning for predicting fatigue properties of additively manufactured materials

Fatigue properties of additively manufactured (AM) materials depend on many factors such as AM processing parameter, microstructure, residual stress, surface roughness, porosities, post-treatments, etc. Their evaluation inevitably requires these factors combined as many as possible, thus resulting in low efficiency and high cost. In recent years, their assessment by leveraging the power of machine learning (ML) has gained increasing attentions. Here, we present a comprehensive overview on the state-of-the-art progress of applying ML strategies to predict fatigue properties of AM materials, as well as their dependence on AM processing and post-processing parameters such as laser power, scanning speed, layer height, hatch distance, built direction, post-heat temperature, etc. A few attempts in employing feedforward neural network (FNN), convolutional neural network (CNN), adaptive network-based fuzzy system (ANFS), support vector machine (SVM) and random forest (RF) to predict fatigue life and RF to predict fatigue crack growth rate are summarized. The ML models for predicting AM materials' fatigue properties are found intrinsically similar to the commonly used ones, but are modified to involve AM features. Finally, an outlook for challenges (i.e., small dataset, multifarious features, overfitting, low interpretability, unable extension from AM material data to structure life) and potential solutions for the ML prediction of AM materials' fatigue properties is provided.

cond-mat.mtrl-sci↗

arXiv2023

Monolayer polar metals with large piezoelectricity derived from MoSi$_2$N$_4$

The advancement of two-dimensional polar metals tends to be limited by the incompatibility between electric polarity and metallicity as well as dimension reduction. Here, we report polar and metallic Janus monolayers of MoSi$_2$N$_4$ family by breaking the out-of-plane (OOP) structural symmetry through Z (P/As) substitution of N. Despite the semiconducting nature of MoSi$_2$X$_4$ (X=N/P/As), four Janus MoSi$_2$N$_{x}$Z$_{4-x}$ monolayers are found to be polar metals owing to the weak coupling between the conducting electrons and electric polarity. The metallicity is originated from the Z substitution induced delocalization of occupied electrons in Mo-d orbitals. The OOP electric polarizations around 10$-$203 pC/m are determined by the asymmetric OOP charge distribution due to the non-centrosymmetric Janus structure. The corresponding OOP piezoelectricity is further revealed as high as 39$-$153 pC/m and 0.10$-$0.31 pm/V for piezoelectric strain and stress coefficients, respectively. The results demonstrate polar metallicity and high OOP piezoelectricity in Janus MoSi$_2$N$_{x}$Z$_{4-x}$ monolayers and open new vistas for exploiting unusual coexisting properties in monolayers derived from MoSi$_2$N$_4$ family.

cond-mat.mtrl-sci↗

arXiv2023

Giant magnetocaloric effect in magnets down to the monolayer limit

Two-dimensional magnets could potentially revolutionize information technology, but their potential application to cooling technology and magnetocaloric effect (MCE) in a material down to the monolayer limit remain unexplored. Herein, we reveal through multiscale calculations the existence of giant MCE and its strain tunability in monolayer magnets such as CrX$_3$ (X=F, Cl, Br, I), CrAX (A=O, S, Se; X=F, Cl, Br, I), and Fe$_3$GeTe$_2$. The maximum adiabatic temperature change ($\Delta T_\text{ad}^\text{max}$), maximum isothermal magnetic entropy change, and specific cooling power in monolayer CrF$_3$ are found as high as 11 K, 35 $\mu$Jm$^{-2}$K$^{-1}$, and 3.5 nWcm$^{-2}$ under a magnetic field of 5 T, respectively. A 2% biaxial and 5% $a$-axis uniaxial compressive strain can remarkably increase $\Delta T_\text{ad}^\text{max}$ of CrCl$_3$ and CrOF by 230% and 37% (up to 15.3 and 6.0 K), respectively. It is found that large net magnetic moment per unit area favors improved MCE. These findings advocate the giant-MCE monolayer magnets, opening new opportunities for magnetic cooling at nanoscale.

cond-mat.mtrl-sci↗

arXiv2023

Thermodynamically consistent non-isothermal phase-field modelling of elastocaloric effect: indirect vs direct method

Modelling elastocaloric effect (eCE) is crucial for the design of environmentally friendly and energy-efficient eCE based solid-state cooling devices. Here, a thermodynamically consistent non-isothermal phase-field model (PFM) coupling martensitic transformation with mechanics and heat transfer is developed and applied for simulating eCE. The model is derived from a thermodynamic framework which invokes the microforce theory and Coleman--Noll procedure. To avoid the numerical issue related to the non-differentiable energy barrier function across the transition point, the austenite-martensite transition energy barrier in PFM is constructed as a smooth function of temperature. Both the indirect method using isothermal PFM with Maxwell relations and the direct method using non-isothermal PFM are applied to calculate the elastocaloric properties. The former is capable of calculating both isothermal entropy change and adiabatic temperature change ($\Delta T_{\text{ad}}$), but induces high computation cost. The latter is computationally efficient, but only yields $\Delta T_{\text{ad}}$. In a model Mn-22Cu alloy, the maximum $\Delta T_{\text{ad}}$ ($\Delta T_{\text{ad}}^{\text{max}}$) under a compressive stress of 100 MPa is calculated as 9.5 and 8.5 K in single crystal (3.5 and 3.8 K in polycrystal) from the indirect and direct method, respectively. It is found that the discrepancy of $\Delta T_{\text{ad}}^{\text{max}}$ by indirect and direct method is within 10% at stress less than 150 MPa, confirming the feasibility of both methods in evaluating eCE at low stress. The results demonstrate the developed PFM herein, combined with both indirect and direct method for eCE calculations, as a practicable toolkit for the computational design of elastocaloric devices.

cond-mat.mtrl-sci↗

arXiv2022

Ultra-Low-Frequency Radio Astronomy Observations from a Selenocentric Orbit: first results of the Longjiang-2 experiment

This paper introduces the first results of observations with the Ultra-Long-Wavelength (ULW) -- Low Frequency Interferometer and Spectrometer (LFIS) on board the selenocentric satellite Longjiang-2. We present a brief description of the satellite and focus on the LFIS payload. The in-orbit commissioning confirmed a reliable operational status of the instrumentation. We also present results of a transition observation, which offers unique measurements on several novel aspects. We estimate the RFI suppression required for such a radio astronomy instrumentation at the Moon distances from Earth to be of the order of 80 dB. We analyse a method of separating Earth- and satellite-originated radio frequency interference (RFI). It is found that the RFI level at frequencies lower than a few MHz is smaller than the receiver noise floor.

astro-ph.IM↗

arXiv2022

Modeling and simulation of sintering process across scales

Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as important complement to experiments are essential for understanding the sintering mechanisms and for the optimization and design of sintering process. We share in this article a state-to-the-art review on the major methods and models for the simulation of sintering process at various length scales. It starts with molecular dynamics simulations deciphering atomistic diffusion process, and then moves to microstructure-level approaches such as discrete element method, Monte--Carlo method, and phase-field models, which can reveal subtle mechanisms like grain coalescence, grain rotation, densification, grain coarsening, etc. Phenomenological/empirical models on the macroscopic scales for estimating densification, porosity and average grain size are also summarized. The features, merits, drawbacks, and applicability of these models and simulation technologies are expounded. In particular, the latest progress on the modelling and simulation of selective and direct-metal laser sintering based additive manufacturing is also reviewed. Finally, a summary and concluding remarks on the challenges and opportunities are given for the modelling and simulations of sintering process.

cond-mat.mtrl-sci↗

arXiv2022

Emerging versatile two-dimensional MoSi$_2$N$_4$ family

The discovery of two-dimensional (2D) layered MoSi$_2$N$_4$ and WSi$_2$N$_4$ without knowing their 3D parents by chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA$_2$Z$_4$ system due to its structural complexity and diversity as well as versatile and intriguing properties. Here, a comprehensive overview on the state-of-the-art progress of this 2D MA$_2$Z$_4$ family is presented. Starting by describing the unique sandwich structural characteristics of the emerging monolayer MA$_2$Z$_4$, we summarize and anatomize their versatile properties including mechanics, piezoelectricity, thermal transport, electronics, optics/optoelectronics, and magnetism. The property tunability via strain engineering, surface functionalization and layered strategy is also elaborated. Theoretical and experimental attempts or advances in applying 2D MA$_2$Z$_4$ to transistors, photocatalysts, batteries and gas sensors are then reviewed to show its prospective applications over a vast territory. We further discuss new opportunities and suggest prospects for this emerging 2D family. The overview is anticipated to guide the further understanding and exploration on 2D MA$_2$Z$_4$.

cond-mat.mtrl-sci↗

arXiv2022

Phase-field modeling of paramagnetic austenite-ferromagnetic martensite transformation coupled with mechanics and micromagnetics

A three-dimensional phase-field model is proposed for simulating the magnetic martensitic phase transformation. The model considers a paramagnetic cubic austenite to ferromagnetic tetragonal martensite transition, as it occurs in magnetic Heusler alloys like Ni2 MnGa, and is based on a Landau 2-3-4 polynomial with temperature dependent coefficients. The paramagnetic-ferromagnetic transition is recaptured by interpolating the micromagnetic energy as a function of the order parameter for the ferroelastic domains. The model is numerically implemented in real space by finite element (FE) method. FE simulations in the martensitic state show that the model is capable to correctly recapture the ferroelastic and -magnetic microstructures, as well as the influence of external stimuli. Simulation results indicate that the paramagnetic austenite to ferromagnetic martensite transition shifts towards higher temperatures when a magnetic field or compressive stress is applied. The dependence of the phase transition temperature shift on the strength of the external stimulus is uncovered as well. Simulation of the phase transition in magnetocaloric materials is of high interest for the development of energy-efficient magnetocaloric cooling devices.

cond-mat.mtrl-sci↗

arXiv2022

Tunable Magnetic Anisotropy in Patterned SrRuO3 Quantum Structures: Competition between Lattice Anisotropy and Oxygen Octahedral Rotation

Artificial perovskite-oxide nanostructures possess intriguing magnetic properties due to their tailorable electron-electron interactions, which are extremely sensitive to the oxygen coordination environment. To date, perovskite-oxide nanodots with sizes below 50 nm have rarely been reported. Furthermore, the oxygen octahedral distortion and its relation to magnetic properties in perovskite oxide nanodots remain unexplored yet. Here, we have studied the magnetic anisotropy in patterned SrRuO3 (SRO) nanodots as small as 30 nm while performing atomic-resolution electron microscopy and spectroscopy to directly visualize the constituent elements, in particular oxygen ions. We observe that the magnetic anisotropy and RuO6 octahedra distortion in SRO nanodots are both nanodots' size-dependent but remain unchanged in the first 3-unit-cell interfacial SRO monolayers regardless of the dots' size. Combined with the first principle calculations, we unravel a unique structural mechanism behind the nanodots' size-dependent magnetic anisotropy in SRO nanodots, sugguesting that the competition between lattice anisotropy and oxygen octahedral rotation mediates anisotropic exchange interactions in SRO nanodots. These findings demonstrate a new avenue towards tuning magnetic properties of correlated perovskite oxides and imply that patterned nanodots could be a promising playground for engineering emergent functional behaviors.

cond-mat.mtrl-sci↗

arXiv2021

High and anomalous thermal conductivity in monolayer MSi$_2$Z$_4$ semiconductors

The lattice thermal conductivity ($\kappa$) of newly synthesized two-dimensional (2D) MoSi$_2$N$_4$ family and its associated abnormality is anatomized by $ab$ $initio$ phonon Boltzmann transport calculations. $\kappa$ of MoSi$_2$N$_4$ and WSi$_2$N$_4$ is found over 400 Wm$^{-1}$K$^{-1}$ at 300 K. $\kappa$ of MoSi$_2$Z$_4$ (Z=N,P,As) obeys Slack's rule of thumb, decreasing by one order of magnitude from Z=N to Z=As with 46 Wm$^{-1}$K$^{-1}$. However, in MSi$_2$N$_4$ (M=Mo,Cr,W,Ti,Zr,Hf), the variation of $\kappa$ with respect to M is anomalous, i.e. deviating from Slack's classic rule. For M in the same group, $\kappa$ of MSi$_2$N$_4$ is insensitive to the average atomic mass, Debye temperature, phonon group velocity, and bond strength owing to the similar phonon structure and scattering rates. MSi$_2$N$_4$ with heavy group-VIB M even possesses a three to four times higher $\kappa$ than that with light group-IVB M, due to its much stronger M-N and exterior Si-N bonds and thus one order of magnitude lower phonon scattering rates. Nevertheless, this abnormality could be traced to an interplay of certain basic vibrational properties including the bunching strength and flatness of acoustic branches and their nearby optical branches, which lie outside of the conventional guidelines by Slack. This work predicts high $\kappa$ of 2D MSi$_2$Z$_4$ for thermal management and provides microscopic insight into deciphering the anomalous $\kappa$ of layered 2D structures.

cond-mat.mtrl-sci↗

arXiv2019

Calculating temperature-dependent properties of Nd$_2$Fe$_{14}$B permanent magnets by atomistic spin model simulations

Temperature-dependent magnetic properties of Nd$_2$Fe$_{14}$B permanent magnets, i.e., saturation magnetization $M_\text{s}(T)$, effective magnetic anisotropy constants $K_i^\text{eff}(T)$ ($i=1,2,3$), domain wall width $δ_w(T)$, and exchange stiffness constant $A_\text{e}(T)$, are calculated by using \textit{ab-initio} informed atomistic spin model simulations. We construct the atomistic spin model Hamiltonian for Nd$_2$Fe$_{14}$B 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. After applying a temperature rescaling strategy, we show that the calculated Curie temperature, spin-reorientation phenomenon, $M_\text{s}(T)$, $δ_w(T)$, and $K_i^\text{eff}(T)$ agree well with the experimental results. $A_\text{e}(T)$ is estimated through a general continuum description of the domain wall profile by mapping atomistic magnetic moments to the macroscopic magnetization. $A_\text{e}$ is found to decrease more slowly than $K_1^\text{eff}$ with increasing temperature, and approximately scale with normalized magnetization as $A_\text{e}(T) \sim m^{1.2}$. This work provokes a scale bridge between \textit{ab-initio} calculations and temperature-dependent micromagnetic simulations of Nd-Fe-B permanent magnets.

cond-mat.mtrl-sci↗

arXiv2019

Three-dimensional non-isothermal phase-field modeling of microstructure evolution during selective laser sintering

Predicting the microstructure during selective laser sintering (SLS) is of great interests, which can compliment the current time and cost expensive trial-and-error principle with an efficient computational design tool. However, it still remains a great challenge to simulate the microstructure evolution during SLS due to the complex underlying physical phenomena. 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. The initial powder bed is generated by the discrete element method. Moreover, we present in the manuscript a novel algorithm analogy to minimum coloring problem and managed to simulate a system of 200 grains with grain tracking using as low as 8 non-conserved order parameters. The developed model is shown to capture interesting phenomena which are not accessible to the conventional isothermal model. Specifically, applying the model to SLS of the stainless steel 316L powder, we identify the influences of laser power and scanning speed on microstructural indicators, including the porosity, surface morphology, temperature profile, grain geometry, and densification. We further validate the first-order kinetics during the porosity evolution, and demonstrate the applicability of the developed model in predicting the linkage of densification factor to the specific energy input during SLS.

cond-mat.mtrl-sci↗

arXiv2019

Computational study on microstructure evolution and magnetic property of laser additively manufactured magnetic materials

Additive manufacturing (AM) offers an unprecedented opportunity for the quick production of complex shaped parts directly from a powder precursor. But its application to functional materials in general and magnetic materials in particular is still at the very beginning. Here we 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). SLM process induced thermal history and thus the residual stress distribution in Fe-Ni alloys are calculated by finite element analysis (FEA). The evolution and distribution of the $γ$-Fe-Ni and FeNi$_3$ phase fractions were predicted by using the temperature information from FEA and the output from CALculation of PHAse Diagrams (CALPHAD). Based on the relation between residual stress and magnetoelastic energy, magnetic properties of SLM processed Fe-Ni alloys (magnetic coercivity, remanent magnetization, and magnetic domain structure) are examined by micromagnetic simulations. The calculated coercivity is found to be in line with the experimentally measured values of SLM-processed Fe-Ni alloys. This computation study demonstrates a feasible approach for the simulation of additively manufactured magnetic materials by integrating FEA, CALPHAD, and micromagnetics.

cond-mat.mtrl-sci↗

arXiv2018

Phase-field modeling of non-isothermal grain coalescence in the unconventional sintering techniques

A thermodynamically consistent phase-field model is developed to study the non-isothermal grain coalescence during the sintering process, with a potential application to the simulation in unconventional sintering techniques, e.g. spark plasma sintering, field-assisted sintering, and selective laser sintering, where non-equilibrium and high temperature gradient exist. In the model, order parameters are adopted to represent the bulk and atmosphere/pore region, as well as the crystallographic orientations. Based on the entropy analysis, the temperature-dependent free energy density is developed, which includes contributions from the internal energy (induced by the change of temperature and order parameters) and the order parameter related configurational entropy. The temperature-dependent model parameters are determined by using the experimental data of surface and grain boundary energies and interface width. From laws of thermodynamics, the kinetics for the order parameters and the order-parameter-coupled heat transfer are derived. The model is numerically implemented by the finite element method. Grain coalescence from two identical particles shows that non-isothermal condition leads to the unsymmetric morphology and curved grain boundary due to the gradients of on-site surface and grain-boundary energies induced by the local temperature inhomogeneity. More simulations on the non-isothermal grain coalescence from two non-identical and multiple particles present the temporal evolution of grain shrinkage/growth, neck growth, and porosity, demonstrating the capability and versatility of the model. 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.

cond-mat.mtrl-sci↗