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Articles by Deyu Lu
Thermally driven surface phase separation in intermetallic alloys - Nature Communications
Abstract Intermetallic compounds are widely recognized for their high-temperature phase stability and resistance to composition and structural changes. However, we reveal a thermally activated bulk-to-surface mass exchange mechanism that drives surface phase separation, resulting in the formation of surface precipitates with distinct composition and structure from the bulk matrix.
Strain release through hydrogen bond-mediated layer twisting
Abstract Strain engineering, enabling the precise control over structure and functional properties, is a key strategy for the design of advanced materials. However, the mechanisms governing strain evolution and release at the nanoscale remain largely unexplored. In this study, we leverage in situ heating transmission electron microscopy and synchrotron x-ray spectroscopy to investigate the strain relaxation pathways of boehmite (γ-AlOOH) at 575 kelvin by revealing real-time structural dynamics.
MRI radiomics to predict early treatment response to TACE combined wit
Back to Journals » Journal of Hepatocellular Carcinoma » Volume 12 Authors Lu D, Zhou L, Zuo Z , Zhang Z, Zheng X, Weng J, Yu Z, Ji J , Xia J Received 14 January 2025 Accepted for publication 8 May 2025 Published 16 May 2025 Volume 2025:12 Pages 985—998 DOI https://doi.org/10.2147/JHC.S513696 Checked for plagiarism Yes Review by Single anonymous peer review Peer reviewer comments 2 Editor who approved publication: Professor Manal Hassan Deyu Lu,1 Lingling Zhou,2 Ziyi Zuo,3 Zhao Zhang,4...
Prediction of the Cu oxidation state from EELS and XAS spectra using supervised machine learning - npj Computational Materials
Abstract Electron energy loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) provide detailed information about bonding, distributions and locations of atoms, and their coordination numbers and oxidation states. However, analysis of XAS/EELS data often relies on matching an unknown experimental sample to a series of simulated or experimental standard samples. This limits analysis throughput and the ability to extract quantitative information from a sample.
Comparison of different global ensemble prediction systems for tropical cyclone intensity forecasting
1 INTRODUCTION Tropical cyclones (TCs) are one of the most destructive natural hazards and have had catastrophic impacts in many countries (Needham et al., 2015). Accurate forecasting of TCs is essential for reducing the enormous socioeconomic losses that are associated with such storms. With improvements in forecasting models, both TC track and intensity predictions have become increasingly accurate since 2010 (Cangialosi et al., 2020).
Dirac nodal arc in 1T-VSe2 - Communications Materials
Abstract Transition metal dichalcogenides exhibit many fascinating properties including superconductivity, magnetic orders, and charge density wave. The combination of these features with a non-trivial band topology opens the possibility of additional exotic states such as Majorana fermions and quantum anomalous Hall effect.
Geometric quantum adiabatic methods for quantum chemistry
Abstract Quantum algorithms have been successfully applied in quantum chemistry to obtain the ground-state energy of small molecules. Although accurate near the equilibrium geometry, the results can become unreliable when the chemical bonds are broken at large distances. For any adiabatic approach, this is usually caused by serious issues, such as energy gap closing or level crossing along the adiabatic evolution path.
Determination of the Structure and Geometry of N-Heterocyclic Carbenes on Au(111) using High-Resolution Spectroscopy
N-heterocyclic carbenes (NHCs) bind very strongly to transition metals due to their unique electronic structure featuring a divalent carbon atom with a lone pair in a highly directional sp2-hybridized orbital. As such, they can be assembled into monolayers on metal surfaces that have enhanced stability compared to their thiol-based counterparts. The utility of NHCs to form such robust self-assembled monolayers (SAMs) was only recently recognized and many fundamental questions remain.
Insights into the spurious long-range nature of local rs-dependent non-local exchange-correlation kernels
A systematic route to go beyond the exact exchange plus random phase approximation (RPA) is to include a physical exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation theorem. In the previous study [D. Lu, J. Chem. Phys.
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