A series of polyoxometalates (POMs)-based coordination polymers, namely, {[Cu(2,3-Me2pz)(2,5-Me2pz)0.5]4(SiW12O40)(2,5-Me2pz)}n (2,3-Me2pz = 2,3-dimethylpyrazine; 2,5-Me2pz = 2,5-dimethylpyrazine; 1),

NIAID Data Ecosystem60

Synthetic FCC 3D polycrystalline microstructures with grain-wise microstructural descriptors and stress fields under uniaxial tensile deformation

多晶材料

单轴拉伸应力模拟

This data set consists of 36 synthetic 3D equiaxed polycrystalline microstructures with different cubic textures, associated microstructural descriptors and the corresponding results from ap

NIAID Data Ecosystem40

Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids

分子动力学模拟

多晶材料

Some organic cage molecules have structures with protected, internal pore volume that cannot be in-filled, irrespective of the solid-state packing mode: that is, they are intrinsically porous. Amorpho

acs.figshare.com2023-06-01 更新110

Geometrical and Topological Data of Grains and its Neighbours in Polycrystalline System RSPA-2025-0889

多晶材料

微观结构演化

Curvature-driven microstructural changes is simulated using thermodynamically-consistent multiphase-field model. In order to understand the evolution of individual entities (grains/foams) during this

Figshare2025-10-15 更新50