サイエンス記事 Studying Materials and Processes with VISION, VirtuES and ICEMAN : Modeling INS Data with DFT Methods

• Ramirez-Cuesta Anibal J

  Neutron Science Directorate, Oak Ridge National Laboratory

• Cheng Yongqiang

  Neutron Science Directorate, Oak Ridge National Laboratory

書誌事項

タイトル別名

• Studying Materials and Processes with VISION, VirtuES and ICEMAN － Modeling INS Data with DFT Methods
• サイエンス キジ Studying Materials and Processes with VISION, VirtuES and ICEMAN : Modeling INS Data with DFT Methods

抄録

Inelastic Neutron scattering (INS) is a very powerful tool to study the vibrational dynamics of solids. The VISION spectrometer at the SNS in Oak Ridge Tennessee has an increased overall flux at low energy transfers up to 100 times over its predecessors and it has unprecedented sensitivity. We will examine the limits of what is now possible in INS thanks to VISION. From the determination of INS spectra of publishable quality in minutes (for samples in the gram quantity range), measuring the signal of samples in the milligram range to the direct determination of the signal of 2 mmol of CO₂ adsorbed on functionalized catalysts. Finally, the major challenges that we are facing will be discussed, in particular methods to automate data analysis and interpretation through computer modelling and Artificial Intelligence/Machine Learning etc.

収録刊行物

• 波紋

  波紋 30 (3), 154-159, 2020-08-10

  日本中性子科学会

キーワード

• Inelastic Neutron Scattering
• Computer Modeling
• Data Analysis

詳細情報

• CRID: 1390008764031255552
• NII論文ID: 130008123876
• NII書誌ID: AA11905115
• DOI: 10.5611/hamon.30.3_154
• ISSN: 1884636X
• ISSN: 1349046X
• NDL書誌ID: 030602776
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I030602776
• Web Site: https://www.jstage.jst.go.jp/article/hamon/30/3/30_154/_pdf
• 本文言語コード: en
• データソース種別:
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