Sep 19, 2024 · OpenMSCG is a high- performance and comprehensive toolset that can be used to derive CG models from large-scale fine-grained simulation data in file formats ...
Sep 9, 2024 · We propose a two-step equilibration process. The first step involves equilibration of the nonequilibrium polymer melt, as reflected by the plateau modulus. This ...
Sep 10, 2024 · Cutting-edge computational methods now provide a less expensive and more efficient approach to innovative biopolymer design and scale-up.
Sep 16, 2024 · Here we extend the highly coarse-grained Cooke model for lipids, which has been extensively characterized on the curvature-elastic front, to also represent raft ...
Missing: Fine- graining
1 day ago · The micelles formed by block copolymers often contain a large number of polymer chains, and each polymer chain typically consists of a large number of atoms.
Missing: graining
Sep 18, 2024 · As a simple example, we present in Fig. 2k the possibility of achieving a fine-grain fully densified invar alloy by adding a 0.5 h pressure-free sintering step ...
Missing: easy equilibrate
Sep 6, 2024 · This approach is highlighted as an alternative method of coarse-graining, which analyzes and designs materials without relying on full microstructural data.
Missing: equilibrate | Show results with:equilibrate
3 days ago · Numerical simulation of an appropriate polymer field theory offers an appealing alternative to molecular models for systems that balance coacervation with ...
Missing: Fine- graining
Sep 16, 2024 · The finer particles and grains create a more homogeneous and stable surface, reducing wear rates and improving surface integrity during sliding and abrasive ...
Missing: equilibrate | Show results with:equilibrate
Sep 23, 2024 · We introduce a machine learning–based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables ...
