WebApr 12, 2024 · Context The morphologies of hexanitrohexaazaisowurtzitane (CL-20) and 1,4-dinitroimidazole (1,4-DNI) co-crystal under vacuum or solvent at different … WebFeb 15, 2010 · The morphology of a growing crystal is governed by two factors, the internal structure of a crystal and external parameters, such as supersaturation, temperature level, the presence of solvents and impurities. Among them, solvent is one of the most important factors that should be taken into account.
Crystal morphology prediction and experimental verification of ...
WebFeb 8, 2024 · Morphology prediction of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) crystal in dimethyl sulfoxide (DMSO) solvent with different models using molecular dynamics simulation Lei He, Fang Chen, +9 authorsPingping Liu Chemistry, Engineering Journal of Molecular Modeling 2024 TLDR WebA new strategy for the accurate morphology prediction of energetic material crystals was proposed in the theoretical framework of the attachment energy model; namely, the … fritz house and garden
Geometric Deep Learning for Molecular Crystal Structure …
WebNov 15, 2024 · Crystal morphology plays a significant role in many industrial applications, with different crystal habits possessing different physical and chemical properties. ... WebThe first two steps, prediction of (1) crystal structure from molecular structure and (2) crystal shape, are necessary to provide the information for all further simulations and, thus, to initialize the multiscale protocol. WebApr 10, 2024 · Directed energy deposition is a typical laser remanufacturing technology, which can effectively repair failed parts and extend their service life, and has been widely used in aerospace, metallurgy, energy and other high-end equipment key parts remanufacturing. However, the repair quality and performance of the repaired parts have … fcra consumer reporting agencies