Effects of Size and Porosity on the Hydrophobicity of Hierarchical Nanoparticles
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Directories present DL_POLY files for MD simulations of water intrusion/extrusion into/from small and large Menger sponge particles.Names of directories correspond to pressure in MPa. For example, 10d - 10 MPa down (extrusion) CONFIG - starting configurtionREVCON - final configurationFIELD - parameters of the force fieldCONTROL - parameters of the simulationsSTATIS - data containing information about each record step
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Zenodo创建时间：
2025-06-13
