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Researcher profile

Xiaoqing Li

Xiaoqing Li contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
cond-mat.mtrl-sciComputer Visionphysics.chem-ph

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Published work

5 published item(s)

preprint2026arXiv

Cloud-top infrared observations reveal the four-dimensional precipitation structure

Accurate four-dimensional (4D) precipitation information is essential for understanding the Earth's energy and water cycles, yet remains observationally unresolved at global scales. Conventional theory holds that geostationary infrared observations primarily sense cloud-top properties, with limited sensitivity to sub-cloud precipitation. Here we show that cloud-top infrared measurements nevertheless encode sufficient information to recover the four-dimensional structure of precipitation, revealing a previously unexploited observability of sub-cloud processes. We introduce a physically constrained deep learning framework, 4DPrecipNet, in which a moisture-first constraint requires the latent representation to recover precipitable water vapour, anchoring the model in thermodynamic consistency. By integrating multi-channel infrared radiances with these constraints and radar-derived precipitation profiles, we reconstruct the vertical and temporal evolution of precipitation systems from geostationary orbit. The framework captures deep convective structures and their evolution, with robust performance across large samples and independent radar comparisons. These results demonstrate that sub-cloud precipitation is physically encoded in cloud-top infrared observations, establishing a new pathway for continuous global monitoring of precipitation structure.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

SABRE Enhancement with Oscillating Pulse Sequences: Symmetry Reduces Robustness

SABRE (Signal Amplification by Reversible Exchange) methods provide a simple, fast, and cost-effective method to hyperpolarize a wide variety of molecules in solution, and have been demonstrated with protons and, more recently, with heteronuclei (X-SABRE). The conventional analysis of the SABRE effect is based on level anti-crossings (LACs), which requires very low magnetic fields (~ 0.6uT) to achieve resonance and transfer spin order from the para-hydrogen to target heteronuclei. We have demonstrated in our recent study that the validity of LACs used in SABRE is very limited, so the maximum SABRE polarization predicted with LACs is not correct. Here, we present several oscillating pulse sequences that use magnetic fields far away from the resonance condition and can commonly triple the polarization. An analysis with average Hamiltonian theory indicates that the oscillating pulse, in effect, adjusts the J-couplings between hydrides and target nuclei and that a much weaker coupling produces maximum polarization. This theoretical treatment, combined with simulations and experiment, show substantial magnetization improvements relative to traditional X-SABRE methods. It also shows that, in contrast to most pulse sequence applications, waveforms with reduced time symmetry in the toggling frame make magnetization generation more robust to experimental imperfections.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys

Understanding the strengthening and deformation mechanisms in refractory high-entropy alloys (HEAs), proposed as new high-temperature material, is required for improving their typically insufficient room-temperature ductility. Here, density-functional theory simulations and a continuum mechanics analysis were conducted to systematically investigate the competition between cleavage decohesion and dislocation emission from a crack tip in the body-centered cubic refractory HEAs HfNbTiZr, MoNbTaVW, MoNbTaW, MoNbTiV, and NbTiVZr. This crack-tip competition is evaluated for tensile loading and a totality of 15 crack configurations and slip systems. Our results predict that dislocation plasticity at the crack tip is generally unfavorable -- although the competition is close for some crack orientations, suggesting intrinsic brittleness and low crack-tip fracture toughness in these five HEAs at zero temperature. Fluctuations in local alloy composition, investigated for HfNbTiZr, can locally reduce the resistance to dislocation emission for a slip system relative to the configuration average of that slip system, but do not change the dominant crack-tip response. In the case of single-crystal MoNbTaW, where an experimental, room-temperature fracture-toughness value is available for a crack on a \{100\} plane, theoretical and experimental results agree favorably. Factors that may limit the agreement are discussed. We survey the effect of material anisotropy on preferred crack tip orientations, which are found to be alloy specific. Mixed-mode loadings are found to shift the competition in favor of cleavage or dislocation nucleation, depending on crack configuration and amplified by the effect of material anisotropy on crack tip stresses.

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preprint2018arXiv

Understanding the mechanical properties of reduced activation steels

Reduced activation ferritic/martensitic (RAFM) steels are structural materials with potential application in Generation-IV fission and fusion reactors. We use density-functional theory to scrutinize the micro-mechanical properties of the main alloy phases of three RAFM steels based on the body-centered cubic FeCrWVMn solid solution. We assess the lattice parameters and elastic properties of ferromagnetic $α$-Fe and Fe$_{91}$Cr$_{9}$, which are the main building blocks of the RAFM steels, and present a detailed analysis of the calculated alloying effects of V, Cr, Mn, and W on the mechanical properties of Fe$_{91}$Cr$_{9}$. The composition dependence of the elastic parameters is decomposed into electronic and volumetric contributions and studied for alloying levels that cover the typical intervals in RAFM steels. A linear superposition of the individual solute effects on the properties of Fe$_{91}$Cr$_{9}$ is shown to provide an excellent approximation for the \emph{ab initio} values obtained for the RAFM steels. The intrinsic ductility is evaluated through Rice's phenomenological theory using the surface and unstable stacking fault energies, and the predictions are contrasted with those obtained by empirical criteria. Alloying with V or W is found to enhance the ductility, whereas additional Cr or Mn turns the RAFM base alloys more brittle.

0 citations0 reviewsNo code linkedOpen access
preprint2017arXiv

First-principles prediction of the stacking fault energy of gold at finite temperature

The intrinsic stacking fault energy (ISFE) $γ$ is a material parameter fundamental to the discussion of plastic deformation mechanisms in metals. Here, we scrutinize the temperature dependence of the ISFE of Au through accurate first-principles derived Helmholtz free energies employing both the super cell approach and the axial Ising model (AIM). A significant decrease of the ISFE with temperature, $-(36$-$39)$\,\% from 0 to 890\,K depending on the treatment of thermal expansion, is revealed, which matches the estimate based on the experimental temperature coefficient $d γ/ d T $ closely. We make evident that this decrease predominantly originates from the excess vibrational entropy at the stacking fault layer, although the contribution arising from the static lattice expansion compensates it by approximately 60\,\%. Electronic excitations are found to be of minor importance for the ISFE change with temperature. We show that the Debye model in combination with the AIM captures the correct sign but significantly underestimates the magnitude of the vibrational contribution to $γ(T)$. The hexagonal close-packed (hcp) and double hcp structures are established as metastable phases of Au. Our results demonstrate that quantitative agreement with experiments can be obtained if all relevant temperature-induced excitations are considered in first-principles modeling and that the temperature dependence of the ISFE is substantial enough to be taken into account in crystal plasticity modeling.

0 citations0 reviewsNo code linkedOpen access