載入...

Computing inelastic neutron scattering spectra from molecular dynamics trajectories

Inelastic neutron scattering (INS) provides a weighted density of phonon modes. Currently, INS spectra can only be interpreted for perfectly crystalline materials because of high computational cost for electronic simulations. INS has the potential to provide detailed morphological information if suf...

全面介紹

Na minha lista:
書目詳細資料
發表在:Sci Rep
Main Authors: Harrelson, Thomas F., Dettmann, Makena, Scherer, Christoph, Andrienko, Denis, Moulé, Adam J., Faller, Roland
格式: Artigo
語言:Inglês
出版: Nature Publishing Group UK 2021
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC8041884/
https://ncbi.nlm.nih.gov/pubmed/33846390
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-86771-5
標簽: 添加標簽
沒有標簽, 成為第一個標記此記錄!