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Zuowei Wang

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cond-mat.soft cond-mat.mtrl-sci cond-mat.stat-mech Quantitative Methods

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preprint2026arXiv

The Impact of Heatwaves on Population Health: A Large Language Model-Enhanced Agent-Based Simulation

Extreme heat events are increasing in frequency and intensity under climate change, but the socio-behavioral mechanisms that shape community resilience remain insufficiently understood. This study uses a Large Language Model-enhanced agent-based model to simulate responses to a prolonged heatwave in a virtual society. One hundred heterogeneous agents were assigned a Heat Vulnerability Index based on demographic risk factors and observed over 13 simulated days covering baseline, heatwave, and recovery periods. The simulation shows that heat-related impacts are primarily psychosocial and unequally distributed. Agents with higher vulnerability experienced larger declines in perceived safety and social connection than agents with lower vulnerability. Vulnerability also shaped adaptive capacity. More resilient agents maintained routine self-care and protective behaviors, whereas highly vulnerable agents showed behavioral constriction, marked by reduced engagement in protective actions. At the collective level, risk-information diffusion followed a pattern of complex contagion, with adoption driven more by repeated social reinforcement within cohesive networks than by broad exposure alone. These findings suggest that LLM-enhanced simulation can help identify behavioral and social mechanisms of climate resilience and inform heat-risk interventions that combine targeted support for vulnerable groups with community-based information pathways.

preprint2016arXiv

Asymmetric Nanoparticle May Go Active at Room Temperature

Using molecular dynamics simulations, we show that an asymmetrically shaped nanoparticle in dilute solution possesses a spontaneously curved trajectory within finite time interval, instead of the generally expected random walk. This unexpected dynamic behavior has a similarity to that of active matters, such as swimming bacteria, cells or even fishes, but is of a different physical origin. The key to the curved trajectory lies in the non-zero resultant force originated from the imbalance of the collision forces acted by surrounding solvent molecules on the shaped nanoparticle during its orientation regulation. Theoretical formulae based on the microscopic observation have been derived to describe this non-zero force and the resulted motion of the nanoparticle.

preprint2016arXiv

Spontaneous Directional Motion of Shaped Nanoparticle

In nanoscale space and pico- to nanoseconds enormous physical, chemical and biological processes take place, while the motions of involved particles/molecules under thermal fluctuations are usually analyzed using the conventional theory of diffusive Brownian motion based on both sufficiently long time averaging and assumptions of spherical particle shapes. Here, using molecular dynamics simulations, we show that asymmetrically shaped nanoparticles in dilute solutions possess spontaneous directional motion of the center of mass within a finite time interval. The driving force for this unexpected directional motion lies in the imbalance of the interactions experienced by their constituent atoms during the orientation regulation at timescales before the onset of diffusive Brownian motion. Theoretical formulae have been derived to describe the mean displacement and the variance of this directional motion. Our study potentially takes an important step towards establishing a complete theoretical framework for describing the motions of variously-shaped particles in solutions over all timescales from ballistic to diffusive regime.

preprint2015arXiv

Large deviations of Rouse polymer chain: First passage problem

The purpose of this paper is to investigate several analytical methods of solving first passage (FP) problem for the Rouse model, a simplest model of a polymer chain. We show that this problem has to be treated as a multi-dimensional Kramers' problem, which presents rich and unexpected behavior. We first perform direct and forward-flux sampling (FFS) simulations, and measure the mean first-passage time $τ(z)$ for the free end to reach a certain distance $z$ away from the origin. The results show that the mean FP time is getting faster if the Rouse chain is represented by more beads. Two scaling regimes of $τ(z)$ are observed, with transition between them varying as a function of chain length. We use these simulations results to test two theoretical approaches. One is a well known asymptotic theory valid in the limit of zero temperature. We show that this limit corresponds to fully extended chain when each chain segment is stretched, which is not particularly realistic. A new theory based on the well known Freidlin-Wentzell theory is proposed, where dynamics is projected onto the minimal action path. The new theory predicts both scaling regimes correctly, but fails to get the correct numerical prefactor in the first regime. Combining our theory with the FFS simulations lead us to a simple analytical expression valid for all extensions and chain lengths. One of the applications of polymer FP problem occurs in the context of branched polymer rheology. In this paper, we consider the arm-retraction mechanism in the tube model, which maps exactly on the model we have solved. The results are compared to the Milner-McLeish theory without constraint release, which is found to overestimate FP time by a factor of 10 or more.

preprint2002arXiv

A molecular dynamics study on the equilibrium magnetization properties and structure of ferrofluids

We investigate in detail the initial susceptibility, magnetization curves, and microstructure of ferrofluids in various concentration and particle dipole moment ranges by means of molecular dynamics simulations. We use the Ewald summation for the long-range dipolar interactions, take explicitly into account the translational and rotational degrees of freedom, coupled to a Langevin thermostat. When the dipolar interaction energy is comparable with the thermal energy, the simulation results on the magnetization properties agree with the theoretical predictions very well. For stronger dipolar couplings, however, we find systematic deviations from the theoretical curves. We analyze in detail the observed microstructure of the fluids under different conditions. The formation of clusters is found to enhance the magnetization at weak fields and thus leads to a larger initial susceptibility. The influence of the particle aggregation is isolated by studying ferro-solids, which consist of magnetic dipoles frozen in at random locations but which are free to rotate. Due to the artificial suppression of clusters in ferro-solids the observed susceptibility is considerably lowered when compared to ferrofluids.