arXiv subjects

Shuai Ren

Publications and source records attributed to Shuai Ren.

21 records · Page 2Linked to original sources

arXiv2021

MD Simulation of Hundred-Billion-Metal-Atom Cascade Collision on Sunway Taihulight

Radiation damage to the steel material of reactor pressure vessels is a major threat to the nuclear reactor safety. It is caused by the metal atom cascade collision, initialized when the atoms are struck by a high-energy neutron. The paper presents MISA-MD, a new implementation of molecular dynamics, to simulate such cascade collision with EAM potential. MISA-MD realizes (1) a hash-based data structure to efficiently store an atom and find its neighbors, and (2) several acceleration and optimization strategies based on SW26010 processor of Sunway Taihulight supercomputer, including an efficient potential table storage and interpolation method, a coloring method to avoid write conflicts, and double-buffer and data reuse strategies. The experimental results demonstrated that MISA-MD has good accuracy and scalability, and obtains a parallel efficiency of over 79% in an 655-billion-atom system. Compared with a state-of-the-art MD program LAMMPS, MISA-MD requires less memory usage and achieves better computational performance.

cs.DC↗

arXiv2021

Nanobubble-induced flow of immersed glassy polymer films

We study the free-surface deformation dynamics of an immersed glassy thin polymer film supported on a substrate, induced by an air nanobubble at the free surface.We combine analytical and numerical treatments of the glassy thin film equation, resulting from the lubrication approximation applied to the surface mobile layer of the glassy film, under the driving of an axisymmetric step function in the pressure term accounting for the nanobubble's Laplace pressure. Using the method of Green's functions, we derive a general solution for the film profile. We show that the lateral extent of the surface perturbation follows an asymptotic viscocapillary power-law behaviour in time, and that the film's central height decays logarithmically in time in this regime. This process eventually leads to film rupture and dewetting at finite time, for which we provide an analytical prediction exhibiting explicitly the dependencies in surface mobility, film thickness and bubble size, among others. Finally, using finite-element numerical integration, we discuss how non-linear effects induced by the curvature and film profile can affect the evolution.

cond-mat.mtrl-sci↗

arXiv2020

Soft nanobubbles can deform rigid glasses

Confined glasses and their anomalous interfacial rheology raise important questions in fundamental research and numerous practical applications. In this Letter, we study the influence of interfacial air nanobubbles on the free surface of ultrathin high-molecular-weight glassy polystyrene films immersed in water, in ambient conditions. In particular, we reveal the counterintuitive fact that a soft nanobubble is able to deform the surface of a rigid glass, forming a nanocrater with a depth that increases with time. By combining in-situ atomic-force-microscopy measurements and a modified lubrication model for the liquid-like layer at the free surface of the glass, we demonstrate that the capillary pressure in the nanobubble together with the liquid-like layer at the free surface of the glass determine the spatiotemporal growth of the nanocraters. Finally, from the excellent agreement between the experimental profiles and the numerical solutions of the governing glassy thin-film equation, we are able to precisely extract the surface mobility of the glass. In addition to revealing and quantifying how surface nanobubbles deform immersed glasses, until the latter eventually dewet from their substrates, our work provides a novel, precise, and simple measurement of the surface nanorheology of glasses.

cond-mat.soft↗