General-purpose machine-learned potential for 16 elemental metals and their alloys

Autor: Keke Song, Rui Zhao, Jiahui Liu, Yanzhou Wang, Eric Lindgren, Yong Wang, Shunda Chen, Ke Xu, Ting Liang, Penghua Ying, Nan Xu, Zhiqiang Zhao, Jiuyang Shi, Junjie Wang, Shuang Lyu, Zezhu Zeng, Shirong Liang, Haikuan Dong, Ligang Sun, Yue Chen, Zhuhua Zhang, Wanlin Guo, Ping Qian, Jian Sun, Paul Erhart, Tapio Ala-Nissila, Yanjing Su, Zheyong Fan

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-15 (2024)

Abstract Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a promising approach for constructing a

Externí odkaz: https://doaj.org/article/1e32fd69fc87413d975d70ce7e63b487

Activated Persulfate Oxidation of Perfluorooctanoic Acid (PFOA) in Groundwater under Acidic Conditions

Autor: Na Lin, Zhihao Hu, Penghua Yin, Xin Song, Jianguo Liu

Publikováno v: International Journal of Environmental Research and Public Health; Volume 13; Issue 6; Pages: 602
International Journal of Environmental Research and Public Health, Vol 13, Iss 6, p 602 (2016)
International Journal of Environmental Research and Public Health

Perfluorooctanoic acid (PFOA) is an emerging contaminant of concern due to its toxicity for human health and ecosystems. However, successful degradation of PFOA in aqueous solutions with a cost-effective method remains a challenge, especially for gro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b81cf49ee3aeb8b6d66e5a89bdaf926