arXiv subjects

Shiyun Zhang

Publications and source records attributed to Shiyun Zhang.

3 recordsLinked to original sources

arXiv2026

Research Paradigm of Materials Science Tetrahedra with Artificial Intelligence

The classical material tetrahedron that represents the Structure-Property-Processing-Performance-Characterization relationship is the most important research paradigm in materials science so far. It has served as a protocol to guide experiments, modeling, and theory to uncover hidden relationships between various aspects of a certain material. This substantially facilitates knowledge accumulation and material discovery with desired functionalities to realize versatile applications. In recent years, with the advent of artificial intelligence (AI) techniques, the attention of AI towards scientific research is soaring. The trials of implementing AI in various disciplines are endless, with great potential to revolutionize the research diagram. Despite the success in natural language processing and computer vision, how to effectively integrate AI with natural science is still a grand challenge, bearing in mind their fundamental differences. Inspired by these observations and limitations, we delve into the current research paradigm dictated by the classical material tetrahedron and propose two new paradigms to stimulate data-driven and AI-augmented research. One tetrahedron focuses on AI for materials science by considering the Matter-Data-Model-Potential-Agent diagram. The other demonstrates AI research by discussing Data-Architecture-Encoding-Optimization-Inference relationships. The crucial ingredients of these frameworks and their connections are discussed, which will likely motivate both scientific thinking refinement and technology advancement. Despite the widespread enthusiasm for chasing AI for science, we must analyze issues rationally to come up with well-defined, resolvable scientific problems in order to better master the power of AI.

cond-mat.mtrl-sci↗

arXiv2020

Shear response of granular packings compressed above jamming onset

We investigate the mechanical response of jammed packings of repulsive, frictionless spherical particles undergoing isotropic compression. Prior simulations of the soft-particle model, where the repulsive interactions scale as a power-law in the interparticle overlap with exponent $α$, have found that the ensemble-averaged shear modulus $\langle G \rangle$ increases with pressure $P$ as $\sim P^{(α-3/2)/(α-1)}$ at large pressures. However, a deep theoretical understanding of this scaling behavior is lacking. We show that the shear modulus of jammed packings of frictionless, spherical particles has two key contributions: 1) continuous variations as a function of pressure along geometrical families, for which the interparticle contact network does not change, and 2) discontinuous jumps during compression that arise from changes in the contact network. We show that the shear modulus of the first geometrical family for jammed packings can be collapsed onto a master curve: $G^{(1)}/G_0 = (P/P_0)^{(α-2)/(α-1)} - P/P_0$, where $P_0 \sim N^{-2(α-1)}$ is a characteristic pressure that separates the two power-law scaling regions and $G_0 \sim N^{-2(α-3/2)}$. Deviations from this form can occur when there is significant non-affine particle motion near changes in the contact network. We further show that $\langle G (P)\rangle$ is not simply a sum of two power-laws, but $\langle G \rangle \sim (P/P_c)^a$, where $a \approx (α-2)/(α-1)$ in the $P \rightarrow 0$ limit and $\langle G \rangle \sim (P/P_c)^b$, where $b \gtrsim (α-3/2)/(α-1)$ above a characteristic pressure $P_c$. In addition, the magnitudes of both contributions to $\langle G\rangle$ from geometrical families and changes in the contact network remain comparable in the large-system limit for $P >P_c$.

cond-mat.soft↗

arXiv2018

Jamming of packings of frictionless particles with and without shear

By minimizing the enthalpy of packings of frictionless particles, we obtain jammed solids at desired pressures and hence investigate the jamming transition with and without shear. Typical scaling relations of the jamming transition are recovered in both cases. In contrast to systems without shear, shear-driven jamming transition occurs at a higher packing fraction and the jammed solids are more rigid with an anisotropic force network. Furthermore, by introducing the macro-friction coefficient, we propose an explanation of the packing fraction gap between sheared and non-sheared systems at fixed pressure.

cond-mat.soft↗