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A trained neural net potential (NNP) was use to simulate shear in the [011] direction in Cu-Ni multilayers. We applied the NNP to a Monte Carlo scheme to generate parallel shear simulations, demonstrating the range of possible trajectories that can be obtained due to speedups provided by the NNP...

Journal Article
Biophysical Journal, vol. 121, iss. 12, pp. 2389-2397, 2022
Authors
Thomas Portet, Zachary R. Cohen, Gunnar J. Goetz, Nicole Panek, Peter N. Holmes, Sean A. Stephens, Tamas Varga, Sarah L. Keller

This dataset includes one baseline and three cybersecurity based scenarios utilizing the IEEE 9 Bus Model. This instantiation of the IEEE 9 model was built utilizing the OpalRT Simulator ePhasorsim module, with Bus 7 represented by hardware in the loop (HiL). The HiL was represented by two SEL351s...

Dataset

The PNNL-PFAS database was constructed to provide quantitative infrared spectra of per- and polyfluoroalkyl substances (PFAS) in the gas phase. These fluorine-rich, organic compounds have been used as non-flammable solvents, cleaning agents, and in the manufacture of a diverse variety of consumer...

Journal Article
Geoscientific Model Development, vol. 15, iss. 14, pp. 5489-5510, 2022
Authors
Lingcheng Li, Gautam Bisht, L. Ruby Leung
Journal Article
Geoscientific Model Development, vol. 15, iss. 14, pp. 5461-5480, 2022
Authors
Sol Kim, L. Ruby Leung, Bin Guan, John C. H. Chiang
Journal Article
Science and Engineering Ethics, vol. 28, iss. 4, 2022
Authors
Saurabh Biswas, Angel Echevarria, Nafeesa Irshad, Yiamar Rivera-Matos, Jennifer Richter, Nalini Chhetri, Mary Jane Parmentier, Clark A. Miller
Journal Article
Energy & Fuels, 2022
Authors
Cheng Zhu, Oliver Y. Gutiérrez, Daniel M. Santosa, Igor Kutnyakov, Roland Weindl, Hui Shi, Huamin Wang
Journal Article
Energy and Buildings, vol. 253, pp. 111544, 2021
Authors
Srinivas Katipamula, Ronald M. Underhill, Nick Fernandez, Woohyun Kim, Robert G. Lutes, Danny Taasevigen
Journal Article
Journal of Geophysical Research: Atmospheres, vol. 127, iss. 11, 2022
Authors
Yunpeng Shan, Hongrong Shi, Jiwen Fan, Lin Lin, Lan Gao, Cenlin He, Meng Gao, Lijuan Miao, et al.
Journal Article
Materials, vol. 15, iss. 12, pp. 4253, 2022
Authors
Jonathan G. Gigax, Matthew R. Chancey, Dongyue Xie, Hyosim Kim, Yongqiang Wang, Stuart A. Maloy, Nan Li
Journal Article
Geoscientific Model Development, vol. 15, iss. 12, pp. 5021-5043, 2022
Authors
Donghui Xu, Gautam Bisht, Khachik Sargsyan, Chang Liao, L. Ruby Leung
Journal Article
Journal of the American Society for Mass Spectrometry, vol. 33, iss. 8, pp. 1577-1580, 2022
Authors
Dušan Veličković, Kumar Sharma, Theodore Alexandrov, Jeffrey B. Hodgin, Christopher R. Anderton
Journal Article
Computation, vol. 10, iss. 5, pp. 72, 2022
Authors
Georgios Karagiannis, Zhangshuan Hou, Maoyi Huang, Guang Lin
Journal Article
Advances in Water Resources, vol. 167, pp. 104272, 2022
Authors
M.K. Mudunuru, E.L.D. Cromwell, H. Wang, X. Chen