History of changes to: Structure prediction in Materials Science and Characterisation with EELS in the low-loss regime
Date Action Change(s) User
Nov. 27, 2023, 2:13 p.m. Added 35 {"external_links": []}
Nov. 20, 2023, 2:03 p.m. Added 35 {"external_links": []}
Nov. 13, 2023, 1:34 p.m. Added 35 {"external_links": []}
Nov. 6, 2023, 1:31 p.m. Added 35 {"external_links": []}
Aug. 14, 2023, 1:31 p.m. Added 35 {"external_links": []}
Aug. 7, 2023, 1:32 p.m. Added 35 {"external_links": []}
July 31, 2023, 1:35 p.m. Added 35 {"external_links": []}
July 24, 2023, 1:36 p.m. Added 35 {"external_links": []}
July 17, 2023, 1:35 p.m. Added 35 {"external_links": []}
July 10, 2023, 1:26 p.m. Added 35 {"external_links": []}
July 3, 2023, 1:27 p.m. Added 35 {"external_links": []}
June 26, 2023, 1:26 p.m. Added 35 {"external_links": []}
June 19, 2023, 1:27 p.m. Added 35 {"external_links": []}
June 12, 2023, 1:30 p.m. Added 35 {"external_links": []}
June 5, 2023, 1:34 p.m. Added 35 {"external_links": []}
May 29, 2023, 1:28 p.m. Added 35 {"external_links": []}
May 22, 2023, 1:29 p.m. Added 35 {"external_links": []}
May 15, 2023, 1:32 p.m. Added 35 {"external_links": []}
May 8, 2023, 1:38 p.m. Added 35 {"external_links": []}
May 1, 2023, 1:28 p.m. Added 35 {"external_links": []}
April 24, 2023, 1:35 p.m. Added 35 {"external_links": []}
April 17, 2023, 1:28 p.m. Added 35 {"external_links": []}
April 10, 2023, 1:25 p.m. Added 35 {"external_links": []}
April 3, 2023, 1:27 p.m. Added 35 {"external_links": []}
Jan. 28, 2023, 11:09 a.m. Created 43 [{"model": "core.projectfund", "pk": 30448, "fields": {"project": 7672, "organisation": 2, "amount": 0, "start_date": "2017-09-30", "end_date": "2021-11-30", "raw_data": 48284}}]
Jan. 28, 2023, 10:52 a.m. Updated 35 {"status": ["Active", "Closed"]}
Jan. 28, 2023, 10:52 a.m. Added 35 {"external_links": []}
April 11, 2022, 3:48 a.m. Created 43 [{"model": "core.projectfund", "pk": 22587, "fields": {"project": 7672, "organisation": 2, "amount": 0, "start_date": "2017-09-30", "end_date": "2021-09-29", "raw_data": 35486}}]
April 11, 2022, 3:48 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 85692, "fields": {"project": 7672, "organisation": 9515, "role": "STUDENT_PP_ORG"}}]
April 11, 2022, 3:48 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 85691, "fields": {"project": 7672, "organisation": 330, "role": "STUDENT_PP_ORG"}}]
April 11, 2022, 3:48 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 85690, "fields": {"project": 7672, "organisation": 44, "role": "COLLAB_ORG"}}]
April 11, 2022, 3:48 a.m. Created 41 [{"model": "core.projectorganisation", "pk": 85689, "fields": {"project": 7672, "organisation": 44, "role": "LEAD_ORG"}}]
April 11, 2022, 3:48 a.m. Created 40 [{"model": "core.projectperson", "pk": 53147, "fields": {"project": 7672, "person": 10652, "role": "STUDENT_PER"}}]
April 11, 2022, 3:48 a.m. Created 40 [{"model": "core.projectperson", "pk": 53146, "fields": {"project": 7672, "person": 10653, "role": "SUPER_PER"}}]
April 11, 2022, 1:48 a.m. Updated 35 {"title": ["", "Structure prediction in Materials Science and Characterisation with EELS in the low-loss regime"], "description": ["", "\nThis project is to enable new developments to the CASTEP Density Functional Theory (DFT) code to provide accurate low loss EELS (Electron Energy Loss Spectra). This necessary to interpret high resolution measurements made possible with the latest generation of Scanning Transmission Electron Microscopes (STEM). This includes the EPSRC National Facility for Aberration-Corrected Scanning Transmission Electron Microscopy (SuperSTEM) located at Daresbury Laboratories. Together, the combination of quantum mechanical DFT calculations and STEM measurements present a powerful tool for materials characterisation. Work in the last decade has shown that it is now possible to use techniques based on quantum mechanics to predict the structure of hitherto unknown materials. To identify the existence of such materials in nature requires the use of experimental techniques such as EELS, which can be compared to the spectra predicted for the proposed structure from DFT simulations. By enhancing our ability to predict low-loss EELS this project will both expand the range of materials systems we can study, and the certainty and confidence with which we can make predictions. The project will enable simulations of a number of materials systems of importance to future materials and the energy sector; including zirconium oxides used in the nuclear industry, fuel cells, Li based batteries and catalysts.\n\nThe CASTEP code is developed by academics at the Universities of Cambridge, Oxford, York, Durham and Royal Holloway (London). It is freely available to UK academics and a supported commercial version is marketed by Dassault Systèmes / BIOVIA (with UK HQ in Cambridge). They provide support to industrial users across a wide variety of sectors including: pharmaceuticals, catalysis, energy.\n\nThis project delivers new capabilities to accelerate the development of novel materials, particularly for energy applications. However, note that the general nature of quantum-mechanical modelling means that the tools can be applied to a very wide range of materials. In the first instance the beneficiary is the UK company Johnson-Matthey who will supply experimental data on catalysts and fuel cell materials. Through this project they will enhance their understanding of the structure and composition of these materials. However, by working with a leading scientific software company (Dassault Systèmes / BIOVIA) we ensure that the tools developed will be made available across Materials sector - ensuring maximum impact.\n \nThe Themes are:\n\nEnergy\nPhysical sciences\n\n"], "extra_text": ["", "\n\n\n\n"], "status": ["", "Active"]}
April 11, 2022, 1:48 a.m. Added 35 {"external_links": [27835]}
April 11, 2022, 1:48 a.m. Created 35 [{"model": "core.project", "pk": 7672, "fields": {"owner": null, "is_locked": false, "coped_id": "8496db50-7d12-4dee-8171-2238bf2e5395", "title": "", "description": "", "extra_text": "", "status": "", "start": null, "end": null, "raw_data": 35469, "created": "2022-04-11T01:46:13.004Z", "modified": "2022-04-11T01:46:13.004Z", "external_links": []}}]