Publications

SELECTED PUBLICATIONS (SINCE 2020)

  • J. Barra, R. Chahal, S. Banerjee, M. L. Pasini, S. Irle, S. Lam, “Inverse mapping of properties to compostion: a generative modeling approach for designing molten salts”, npj Computational Materials, 11, 190 (2025).
  • A. Wadehra, O. Oraby, R. Chahal, A. Levy, Y. Haoxuan, Q. Ma, U. Pal, S. Lam, K. Ludwig, “Exploring the Local Structure of Molten NaF-ZrF4 through In Situ XANES/EXAFS and Molecular Dynamics”, Journal of Physical Chemistry B, 129, 4747-4755 (2025).
  • S. Banerjee, R. Chahal, A. Ivanov, S. Roy, V. Bryantsev, Y. Shinohara, S. Lam, “ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2”, Journal of Molecular Liquids, 412, 125821 (2024).
  • Y. Zhang, R. Chahal, M. Azeem, S. Lam, K. Ludwig, U. Pal, M. Gao, A. Powell, Y. Zhong, “Atomistic insight into the structural and thermodynamic properties of CaF2-MgF2 binary fluoride system at high temperatures”, Computational Materials Science, 245, 113294 (2024).
  • J. Barra-Otondo, R. Chahal, S. Audesse, J. Zhang, Y. Zhong, J. Kabel, S. Lam, “Chemistry informed machine learning-based heat capacity prediction of solid mixed oxides”, Journal of Physical Chemistry Letters, 15, 17, 4721-4728 (2024).
  • A. Wadehra, R. Chahal, S. Banerjee, A. Levy, Y. Zhang, H. Yan, D. Olds, Y. Zhong, U. Pal, S. Lam, K. Ludwig, “X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-ZrF4”, Physical Review Materials, 8, 075402 (2024).
  • N. Marcella, S. Lam, V. Bryantsev, S. Roy, A. Frenkel, “Neural network-based analysis of multimodal bond distributions using their EXAFS spectra”, Physical Review B, 109, 104201 (2024).
  • S. Fayfar, R. Chahal, H. Williams, D. N. Gardner, G. Zheng, D. Sprouster, J. Neuefeind, D. Olds, A. Hwang, J. Mcfarlane, R. C. Gallagher, M. Asta, S. Lam*, R. O. Scarlat*, B. Khaykovich*, “Revealing the complex structure of molten FLiBe (2LiF−BeF2) by experimental x-ray scattering, neutron scattering, and deep neural network-based molecular dynamics”, PRX Energy, 3, 1, 013001 (2024).
  • R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, “Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF-NaF-ZrF4 Molten Salt”, JACS Au, 2, 12, p. 2693-2702 (2022).
  • R. Chahal, S. Banerjee, S. Lam, “Short to Intermediate-range Structure, Transport, and Thermophysical Properties of LiF-NaF-ZrF4 Molten Salts”, Frontiers in Physics, Physical Chemistry and Chemical Physics, 10, 830468 (2022).
  • A. Rodriguiez, M. Hu, S. Lam, “Thermodynamic and Transport Properties of LiF and FLiBe Molten Salts with Deep Learning Potentials”, ACS Applied Materials and Interfaces, 13, 46, p.55367-55379 (2021).
  • S. Lam, Q-J. Li, R. Ballinger, C. Forsberg, J. Li, “Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potential”, ACS Applied Materials and Interfaces, 13, 21, p. 24582-24592 (2021).
  • Q-J. Li, D. Sprouster, G. Zheng, J. Neuefeind, A. Braatz, J. Mcfarlane, D. Olds, S. Lam, J. Li, B. Khaykovich, “Complex structure of molten NaCl-CrCl3 salt: Cr-Cl octahedra network and intermediate-range order”, ACS Applied Energy Materials, 4, 4, p. 3044-3056 (2021).
  • S. Lam, Q-J. Li, C. Forsberg, R. Ballinger, “The Impact of Hydrogen Valence on Its Bonding and Transport in Molten Fluoride Salts”, Journal of Materials Chemistry A, 9, 1784, (2021).
  • B. Zohuri, S. Lam, C. Forsberg, “Heat-Pipe Heat Exchangers for Salt-Cooled Fission and Fusion Reactors to Avoid Salt Freezing and Control Tritium: A Review”, Nuclear Technology, 206, p. 1642 -1658 (2020).
  • C. Forsberg, G. Zheng, R. Ballinger, S. Lam, “Fusion Blankets and Fluoride-Salt-Cooled High-temperature Reactors with Flibe Salt Coolant: Common Challenges, Tritium Control, and Opportunities for Synergistic Development Strategies Between Fission, Fusion and Solar Salt Technologies”, Nuclear Technology, 206, p. 1778-1801 (2020).
  • H. Wu, R. Gakhar, A. Chen, S. Lam, C. Marshall, R. Scarlat, “Comparative analysis of microstructure and reactive sites for nuclear graphite IG-110 and graphite matrix A3”, Journal of Nuclear Materials, Vol. 528, 151802 (2020).