arXiv subjects

Xiangyan Li

Publications and source records attributed to Xiangyan Li.

5 recordsLinked to original sources

arXiv2024

Magnetic ordering phase transition and abnormal brittleness in dilute Fe-Mn solid solution

Experiments showed that solute Mn in bcc iron is in antiferromagnetic (AFM) coupling with iron neighbours below 2 at.% Mn, but is in ferromagnetic (FM) coupling at higher concentrations. Surprisingly, although Mn is an important alloying element in high-strength steels, it induces brittleness just at around 2 at.% Mn and higher concentrations. However, the mechanisms for the magnetic ordering phase transition and the abnormal brittleness remain unclear. Based on magnetism-constrained/unconstrained calculations and ab initio molecular dynamics simulations within density functional theory, we show that while the AFM phase prevails at low Mn contents, the FM phase becomes dominant at 1.85 at.% Mn and elevated temperatures. Our results suggest that the AFM-FM phase transition with increasing Mn concentration can be ascribed to the thermal effect. Furthermore, we find that the brittleness of the Fe-Mn alloys at intermediate Mn content might be related to the stress variations within the grains accompanying the local magnetic ordering changes.

cond-mat.mtrl-sci↗

arXiv2021

Conformal Three-Dimensional Interphase of Li Metal Anode Revealed by Low Dose Cryo-Electron Microscopy

Using cryogenic transmission electron microscopy, we revealed three dimensional (3D) structural details of the electrochemically plated lithium (Li) flakes and their solid electrolyte interphase (SEI), including the composite SEI skin-layer and SEI fossil pieces buried inside the Li matrix. As the SEI skin-layer is largely comprised of nanocrystalline LiF and Li2O in amorphous polymeric matrix, when complete Li stripping occurs, the compromised SEI three-dimensional framework buckles, forming nanoscale bends and wrinkles. We showed that the flexibility and resilience of the SEI skin-layer plays a vital role in preserving an intact SEI 3D framework after Li stripping. The intact SEI network enables the nucleation and growth of the newly plated Li inside the previously formed SEI network in the subsequent cycles, preventing additional large amount of SEI formation between newly plated Li metal and the electrolyte. In addition, cells cycled under the accurately controlled uniaxial pressure can further enhance the repeated utilization of the SEI framework and improve the coulombic efficiency (CE) by up to 97%, demonstrating an effective strategy of reducing the formation of additional SEI and inactive dead Li. The identification of such flexible and porous 3D SEI framework clarifies the working mechanism of SEI in lithium metal anode for batteries. The insights provided in this work will inspire researchers to design more functional artificial 3D SEI on other metal anodes to improve rechargeable metal battery with long cycle life.

cond-mat.mtrl-sci↗

arXiv2020

Triply magic conditions for microwave transitions of optically trapped alkali-metal atoms

We report the finding of "triply magic" conditions (the doubly magic frequency-intensity conditions of an optical dipole trap plus the magic magnetic field) for the microwave transitions of optically trapped alkali-metal atoms. The differential light shift (DLS) induced by a degenerate two-photon process is adopted to compensate a DLS associated with the one-photon process. Thus, doubly magic conditions for the intensity and frequency of the optical trap beam can be found. Moreover, the DLS decouples from the magnetic field in a linearly polarized optical dipole trap, so that the magic condition of the magnetic field can be applied independently. Therefore, the "triply magic" conditions can be realized simultaneously. We also experimentally demonstrate the doubly magic frequency-intensity conditions as well as the independence of the magnetic field. When the triply magic conditions are fulfilled, the inhomogeneous and homogeneous decoherences for the optically trapped atom will be dramatically suppressed, and the coherence time can be extended significantly.

quant-ph↗

arXiv2015

Self-blocking of interstitial clusters near metallic grain boundaries

Nano-crystallize materials have been known for decades to potentially owe the novel self-healing ability for radiation damage, which has been demonstrated to be especially linked to preferential occupation of interstitials at grain boundary (GB) and promoted vacancy-interstitial annihilation. A major obstacle to better understanding the healing property is the lack of an atomistic picture of the interstitial states near GBs, due to severely separation of the timescale of interstitial segregation from other events and abundance of interstitials at the GB. Here, we report a generic "self-blocking" effect of the interstitial cluster (SIAn) near the metallic GB in W, Mo and Fe. Upon creating a SIAn near the GB, it is immediately trapped by the GB during the GB structural relaxation and blocks there, impeding GB's further spontaneous trapping of the SIAn in the vicinity and making these SIAns stuck nearby the GB. The SIAn in the stuck state surprisingly owes an exceptionally larger number of annihilation sites with vacancies near the GB than the SIAn trapped at the GB due to maintaining its bulk configuration basically. Besides, it also has an unexpectedly long-ranged repelling interaction with the SIA in the bulk region, which may further affect the GB's trap of the SIAn. The self-blocking effect might shed light on more critical and extended role of the GB in healing radiation-damage in NCs than previously recognized the GB's limited role based on GB's trap for the SIA and resulted vacancy-SIA recombination.

cond-mat.mtrl-sci↗

arXiv2013

An operational window for radiation-resistant materials based on sequentially healing grain interiors and boundaries

Design of nuclear materials with high radiation-tolerance has great significance1, especially for the next generation of nuclear energy systems2,3. Response of nano- and poly-crystals to irradiation depends on the radiation temperature, dose-rate and grain size4-13. However the dependencies had been studied and interpreted individually, and thus severely lacking is the ability to predict radiation performance of materials in extreme environments. Here we propose an operational window for radiation-resistant materials, which is based on a perspective of interactions among irradiation-induced interstitials, vacancies, and grain boundaries. Using atomic simulations, we find that healing grain boundaries needs much longer time than healing grain interiors. Not been noticed before, this finding suggests priority should be thereafter given to recovery of the grain boundary itself. This large disparity in healing time is reflected in the spectra of defects-recombination energy barriers by the presence of one high-barrier peak in addition to the peak of low barriers. The insight gained from the study instigates new avenues for examining the role of grain boundaries in healing the material. In particular, we sketch out the radiation-endurance window in the parameter space of temperature, dose-rate and grain size. The window helps evaluate material performance and develop resistant materials against radiation damage.

cond-mat.mtrl-sci↗