Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Chahal, Rajni"'
Molten salts are promising candidates in numerous clean energy applications, where challenges in experimental methods limit knowledge of their safety-critical temperature-properties correlations. Herein, we developed and employed machine learning int
Externí odkaz:
http://arxiv.org/abs/2410.18009
Autor:
Barra, Julian, Shahbazi, Shayan, Birri, Anthony, Chahal, Rajni, Isah, Ibrahim, Anwar, Muhammad Nouman, Starkus, Tyler, Balaprakash, Prasanna, Lam, Stephen
Optimally designing molten salt applications requires knowledge of their thermophysical properties, but existing databases are incomplete, and experiments are challenging. Ideal mixing and Redlich-Kister models are computationally cheap but lack eith
Externí odkaz:
http://arxiv.org/abs/2410.15120
Due to extreme chemical, thermal, and radiation environments, existing molten salt property databases lack the necessary experimental thermal properties of reactor-relevant salt compositions. Meanwhile, simulating these properties directly is typical
Externí odkaz:
http://arxiv.org/abs/2405.10325
Autor:
Chahal, Rajni, Toomey, Michael D., Kearney, Logan T., Sedova, Ada, Damron, Joshua T., Naskar, Amit K., Roy, Santanu
Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental understanding of governing interactions among PAN molecular units are in
Externí odkaz:
http://arxiv.org/abs/2404.16187
Autor:
Wadehra, Anubhav, Chahal, Rajni, Banerjee, Shubhojit, Levy, Alexander, Zhang, Yifan, Yan, Haoxuan, Olds, Daniel, Zhong, Yu, Pal, Uday, Lam, Stephen, Ludwig, Karl
The local atomic structure of NaF-ZrF$_4$ (53-47 mol%) molten system and its evolution with temperature are examined with x-ray scattering measurements and compared with $ab-initio$ and Neural Network-based molecular dynamics (NNMD) simulations in th
Externí odkaz:
http://arxiv.org/abs/2403.06049
Autor:
Banerjee, Shubhojit, Chahal, Rajni, Ivanov, Alexander S., Roy, Santanu, Bryantsev, Vyacheslav S., Shinohara, Yuya, Lam, Stephen T
Ion dynamics that drive the transport and thermophysical properties of molten salts are poorly understood due to challenges in precisely quantifying the spatial and temporal fluctuations of specific ions in highly disordered systems. While the Van Ho
Externí odkaz:
http://arxiv.org/abs/2311.13537
Autor:
Chahal, Rajni, Roy, Santanu, Brehm, Martin, Banerjee, Shubhojit, Bryantsev, Vyacheslav, Lam, Stephen T.
LiF-NaF-ZrF4 multicomponent molten salts are promising candidate coolants for advanced clean energy systems owing to their desirable thermophysical and transport properties. However, the complex structures enabling these properties, and their depende
Externí odkaz:
http://arxiv.org/abs/2209.09924
Autor:
Banerjee, Shubhojit, Chahal, Rajni, Ivanov, Alexander S., Roy, Santanu, Bryantsev, Vyacheslav S., Shinohara, Yuya, Lam, Stephen T.
Publikováno v:
In Journal of Molecular Liquids 15 October 2024 412
Autor:
Zhang, Yifan, Chahal, Rajni, Azeem, M. Mustafa, Lam, Stephen, Ludwig, Karl, Pal, Uday, Gao, Michael C., Powell, Adam, Zhong, Yu
Publikováno v:
In Computational Materials Science October 2024 245
Publikováno v:
Front. Phys. - Physical Chemistry and Chemical Physics, 2022
LiF-NaF-ZrF4 multicomponent molten salts are identified as promising candidates for coolant salts in molten salt reactors and advanced high-temperature reactors. Herein, ab-initio molecular dynamics (AIMD) calculations were performed and compared wit
Externí odkaz:
http://arxiv.org/abs/2202.03537