arXiv subjects

Long Hao

Publications and source records attributed to Long Hao.

3 recordsLinked to original sources

arXiv2025

High-pressure melting and elastic behavior of vanadium and niobium based on ab initio and machine learning molecular dynamics

Under high pressure, the group-VB transition metals vanadium (V) and niobium (Nb) exhibit simple crystal structures but complex physical behaviors, such as anomalous compression-induced softening and heating-induced hardening (CISHIH). Meanwhile, the impact of lattice thermal expansion-induced softening at elevated temperatures on HIH is yet to be investigated. Therefore, this study utilized ab initio (AIMD) and machine learning molecular dynamics (MLMD) to investigate the melting and abnormal mechanical softening-hardening behaviors of V and Nb under high pressure. Simulations reveal that the high-temperature Pnma phase of Nb reported in previous experimental studies is highly susceptible to mechanical instability and reverts to the body-centered cubic (BCC) phase. This discovery prompted a revised determination of the high-pressure melting line of Nb. The melting temperature of Nb significantly exceeds the existing theoretical and experimental estimate compared with that of V. AIMD simulations demonstrate that atomic thermal displacements have a greater influence on the HIH of V and Nb than pure electron temperature effects. In addition, the temperature-dependent anomalous elastic properties of V and Nb were investigated within a pressure range of 0-250 GPa using MLMD. The mechanical properties of V and Nb transitioned from HIH to heating-induced softening, elucidating the competition between thermal-expansion-induced softening and HIH. This study advances fundamental understanding of V and Nb physics, providing crucial theoretical foundations for establishing accurate equations of state and constitutive models for these metals.

cond-mat.mtrl-sci↗

arXiv2025

Validation of the copper equation of state via shock loading experiments of loosely associated powders

High-fidelity shock experiments were performed on copper powders with controlled porosity via improved target fabrication and assembly. Optical velocimetry and multi-channel pyrometry were used to obtain Hugoniot data, isentropic release paths, and interface temperature histories. The results validate a modified two-phase equation of state (EOS) for copper based on the framework of Greeff et al. The measured Hugoniot shows good agreement with the present model but exhibits significant softening above ~156 GPa relative to the original Greeff EOS, indicating that reduction in lattice specific heat becomes essential when shock temperatures exceed three times the melting point (T > 3Tm). Unloading behavior matches hydrodynamic simulations incorporating the recalibrated EOS, confirming its accuracy for off-Hugoniot states. Theoretical analysis of temperature release profiles suggests that the thermal conductivity of shocked copper powders may be considerably higher than first-principles predictions. Crucially, despite heterogeneity in shock heating, the macroscopic dynamic response of copper powders with a porosity of ~1.7 is well captured by an average-density EOS model, supporting the use of porous material experiments for EOS validation under extreme conditions.

physics.app-ph↗

arXiv2023

Gene-MOE: A sparsely gated prognosis and classification framework exploiting pan-cancer genomic information

Benefiting from the advancements in deep learning, various genomic analytical techniques, such as survival analysis, classification of tumors and their subtypes, and exploration of specific pathways, have significantly enhanced our understanding of the biological mechanisms driving cancer. However, the overfitting issue, arising from the limited number of patient samples, poses a challenge in improving the accuracy of genome analysis by deepening the neural network. Furthermore, it remains uncertain whether novel approaches such as the sparsely gated mixture of expert (MOE) and self-attention mechanisms can improve the accuracy of genomic analysis. In this paper, we introduce a novel sparsely gated RNA-seq analysis framework called Gene-MOE. This framework exploits the potential of the MOE layers and the proposed mixture of attention expert (MOAE) layers to enhance the analysis accuracy. Additionally, it addresses overfitting challenges by integrating pan-cancer information from 33 distinct cancer types through pre-training.We pre-trained Gene-MOE on TCGA pan-cancer RNA-seq dataset with 33 cancer types. Subsequently, we conducted experiments involving cancer classification and survival analysis based on the pre-trained Gene-MOE. According to the survival analysis results on 14 cancer types, Gene-MOE outperformed state-of-the-art models on 12 cancer types. Through detailed feature analysis, we found that the Gene-MOE model could learn rich feature representations of high-dimensional genes. According to the classification results, the total accuracy of the classification model for 33 cancer classifications reached 95.8%, representing the best performance compared to state-of-the-art models. These results indicate that Gene-MOE holds strong potential for use in cancer classification and survival analysis.

cs.LG↗