output
20022024
most citedGALAMOST: GPU-accelerated large-scale molecular simulation toolkit

306 citations

25 papers

cond-mat.mtrl-sci2024★ 4 cited

Atomistic mechanisms of dynamics in a two-dimensional dodecagonal quasicrystal

Kun Zhao, Matteo Baggioli, Wen-Sheng Xu +2

Quasicrystals have been observed in a variety of materials ranging from metal alloys to block copolymers. However, their structural and dynamical properties cannot be readily descr…

cond-mat.soft2024★ 3 cited

Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities

Yuichi Masubuchi, Hong-Xia Guo, Fan Wang +5

Slip-spring models are valuable tools for simulating entangled polymers, bridging the gap between bead-spring models with excluded volume and network models with presumed reptation…

cond-mat.soft2022★ 27 cited

Thermodynamic-Dynamic Interrelations in Glass-Forming Polymer Fluids

Xiaolei Xu, Jack F. Douglas, Wen-Sheng Xu

We utilize the lattice cluster theory (LCT) of polymer fluids to show that the configurational entropy, enthalpy, and internal energy are all closely interrelated, as suggested by…

cond-mat.soft2022★ 20 cited

Dynamics of Associative Polymers with High Density of Reversible Bonds

Shifeng Nian, Shalin Patil, Siteng Zhang +6

We design and synthesize unentangled associative polymers carrying unprecedented high fractions of stickers, up to eight per Kuhn segment, that can form strong pairwise hydrogen bo…

cond-mat.soft2021★ 39 cited

Equation of State and Entropy Theory Approach to Thermodynamic Scaling in Polymeric Glass-Forming Liquids

Jack F. Douglas, Wen-Sheng Xu

We show that thermodynamic scaling can be derived by combining the Murnaghan equation of state (EOS) with the generalized entropy theory (GET) of glass formation. In our theory, th…

cond-mat.soft2021★ 84 cited

Polymer Glass Formation: Role of Activation Free Energy, Configurational Entropy, and Collective Motion

Wen-Sheng Xu, Jack F. Douglas, Zhao-Yan Sun

We provide a perspective on polymer glass formation, with an emphasis on models in which the fluid entropy and collective particle motion dominate the theoretical description and d…