To prevent the formation of ice crystals, it is often necessary to add a cryo-protectant such as glycerol, low molecular weight poly(ethylene glycol), or high salt to the surrounding mother liquor. For data collection, the crystal is then placed on a goniometer, a device that controls ...
Reference work2016, Reference Module in Materials Science and Materials Engineering D. Klimm Explore book 3.1 Growth from the Gas Phase Helbig (1972) has grown very successfully ZnO single crystals up to 20 g mass by a gas phase process starting from ZnO powder. Most crystals were hexagonal pri...
acknowledge support from the ‘Graphene Flagship’ and DFG within the project KA 1295-33 as well as the DFG and the Ministry of Science, Research and the Arts (MWK) of Baden-Wuerttemberg within the frame of the SALVE (Sub Angstrom Low-Voltage Electron microscopy) project. T.W.C. and A...
The structural knowledge of some biological macromolecules helps to understand their mechanisms of working and their role on health sciences, food science and even their effect on the economy. In this work, some recent solutions to crystallogenesis for structural analysis (convective transport, counter...
the formation of hydrates and solvates stable within accessible temperature and humidity ranges1,17,18,19. To complement experimental efforts, computational methods, in particular crystal structure prediction (CSP), are becoming important for polymorph risk assessment and control3,5,20,21,22,23. The...
The official source code for Stoichiometry Representation Learning with Polymorphic Crystal Structures, accepted at NeurIPS 2023 workshop on AI for Scientific Discovery: From Theory to Practice (AI4Science).OverviewDespite the recent success of machine learning (ML) in materials science, its success hea...
The excessive demand for phosphorus-based fertilizers is contributing to the undesired byproduct of phosphogypsum (PG), typically found in large quantities in phosphoric acid industry. Without proper management, this industrial waste poses a significant environmental pollution risk. Current technologies are...
The Materials Project Dataset We provide benchmark results for previous works, including CGCNN, SchNet, MEGNET, GATGNN, ALIGNN on The Materials Project Dataset. In particular, for tasks of formation energy and band gap, we directly follow ALIGNN and use the same training, validation, and test...
Crystal structure prediction is a long-standing challenge in condensed matter and chemical science. Here we report a machine-learning approach for crystal structure prediction, in which a graph network (GN) is employed to establish a correlation model between the crystal structure and formation enthalp...
[4]. The silicon crystal-orientation-dependent etching results in the formation of trenches, grooves, and wells with (111) crystal-plane sidewalls. Other fundamental structures that can be formed by bulk micromachining are cantilevers, bridges, and diaphragms in which silicon is selectively removed...