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Zisheng Zhang

Publications and source records attributed to Zisheng Zhang.

4 recordsLinked to original sources

Scalable dynamical inference of phase-field fracture from sparse and partial measurements

Evolving crack fields in structural health monitoring and fracture assessment must often be inferred from sparse mechanical measurements rather than dense full-field observations. We develop CNN2D--ConvGRU, a convolutional-recurrent framework for measurement-conditioned reconstruction of time-dependent phase-field brittle fracture. At each load step, the model maps a fixed-length history of phase and displacement fields and sparse current-step displacement measurements to the current full-field state. New measurements are assimilated during sequential deployment, making the framework a state-inference surrogate rather than an autonomous time integrator. It reproduces crack paths, damage evolution, and bulk displacement response, with the largest errors near propagating crack tips and steep displacement gradients and some drift at late stages. Without retraining, weights learned on a $256 \times 256$ raster are evaluated on a $512 \times 512$ raster of the same physical domain and finite-element discretization using a proportionally refined measurement grid. This empirical raster-and-sensing transfer preserves the principal damage topology and global damage evolution, although fine-scale displacement errors increase near crack tips. Comparisons with alternative spatial and temporal architectures show that CNN2D--ConvGRU offers a favorable balance between reconstruction accuracy and computational cost. Relative to repeated finite-element solutions, sequential reconstruction achieves mean speedups of $175\times$ on CPU and $253\times$ on GPU. These results demonstrate efficient full-field fracture-state reconstruction from sparse observations while retaining the spatial structure and history dependence of phase-field fracture.

physics.comp-ph↗

In situ Gas-Cell Electron Microscopy Reveals Pressure-Selected Restructuring Pathways in AuRu Ammonia Catalysts

Bimetallic catalysts provide new routes toward sustainable ammonia synthesis, but the nanoscale structural dynamics under reaction-relevant conditions remain poorly understood. Here, we combine in situ gas-cell and multimodal electron microscopy to determine how temperature, gas pressure, and chemistry select among distinct restructuring pathways in AuRu nanocrystal catalysts. Initially, the AuRu nanocrystals form polycrystalline face-centered cubic (FCC) alloys with Au/Ru intermixing. Elevated temperature ($\geq 350~^\circ$C) induces intraparticle phase segregation into distinct Au-rich (FCC) and Ru-rich hexagonal close-packed (HCP) domains that exhibit localized plasmonic modes. Atmospheric-pressure 3:1 H$_2$:N$_2$ gas unlocks a distinct restructuring regime absent at lower pressures, characterized by pronounced faceting and nanovoid formation. Systematic gas variation identifies hydrogen as the dominant driver. Density functional theory-trained machine-learning interatomic potentials and grand-canonical Monte Carlo simulations reveal that H-Ru interactions enhance the Au/Ru diffusivity mismatch, promoting vacancy accumulation and nanovoid formation. Together, these results show that, rather than simply accelerating the thermally driven phase segregation observed at lower pressures, atmospheric-pressure H$_2$:N$_2$ gas redirects restructuring toward faceting and nanovoid formation through a gas-mediated Kirkendall-type mechanism.

cond-mat.mtrl-sci↗

AlphaNet: Scaling Up Local-frame-based Atomistic Interatomic Potential

Molecular dynamics simulations demand an unprecedented combination of accuracy and scalability to tackle grand challenges in catalysis and materials design. To bridge this gap, we present AlphaNet, a local-frame-based equivariant model that simultaneously improves computational efficiency and predictive precision for interatomic interactions. By constructing equivariant local frames with learnable geometric transitions, AlphaNet encodes atomic environments with enhanced representational capacity, achieving state-of-the-art accuracy in energy and force predictions. Extensive benchmarks on large-scale datasets spanning molecular reactions, crystal stability, and surface catalysis (Matbench Discovery and OC2M) demonstrate its superior performance over existing neural network interatomic potentials while ensuring scalability across diverse system sizes with varying types of interatomic interactions. The synergy of accuracy, efficiency, and transferability positions AlphaNet as a transformative tool for modeling multiscale phenomena, decoding dynamics in catalysis and functional interfaces, with direct implications for accelerating the discovery of complex molecular systems and functional materials.

cs.LG↗

Measurements of the Hubble constant from combinations of supernovae and radio quasars

In this letter, we propose an improved cosmological model independent method of determining the value of the Hubble constant $H_0$. The method uses unanchored luminosity distances $H_0d_L(z)$ from SN Ia Pantheon data combined with angular diameter distances $d_A(z)$ from a sample of intermediate luminosity radio quasars calibrated as standard rulers. The distance duality relation between $d_L(z)$ and $d_A(z)$, which is robust and independent of any cosmological model, allows to disentangle $H_0$ from such combination. However, the number of redshift matched quasars and SN Ia pairs is small (37 data-points). Hence, we take an advantage from the Artificial Neural Network (ANN) method to recover the $d_A(z)$ relation from a network trained on full 120 radio quasar sample. In this case, the result is unambiguously consistent with values of $H_0$ obtained from local probes by SH0ES and H0LiCOW collaborations. Three statistical summary measures: weighted mean $\widetilde{H}_0=73.51(\pm0.67) {~km~s^{-1}~Mpc^{-1}}$, median $Med(H_0)=74.71(\pm4.08) {~km~s^{-1}~Mpc^{-1}}$ and MCMC simulated posterior distribution $H_0=73.52^{+0.66}_{-0.68} {~km~s^{-1}~Mpc^{-1}}$ are fully consistent with each other and the precision reached $1\%$ level. This is encouraging for the future applications of our method. Because individual measurements of $H_0$ are related to different redshifts spanning the range $z=0.5 - 2.0$, we take advantage of this fact to check if there is any noticeable trend in $H_0$ measurements with redshift of objects used for this purpose. However, our result is that the data we used strongly support the lack of such systematic effects.

astro-ph.CO↗