Publications
2023
Microstructural and phase changes in alpha uranium investigated via in-situ studies and molecular dynamics, Fidelma G Di Lemma, Tiankai Yao, Daniele Salvato, Luca Capriotti, Fei Teng, Andrea M Jokisaari, Benjamin W Beeler, Yuhao Wang, Colby J Jensen, Journal of Nuclear Materials, Volume 577 (2023) 154341
Computational determination of a primary diffusion mode in γU-10Mo under irradiation, Gyuchul Park, Benjamin Beeler, Maria A Okuniewski, Journal of Nuclear Materials, Volume 574 (2023) 154137
An atomistic study of fundamental bulk and defect properties in α-uranium, Yuhao Wang, Benjamin Beeler, Andrea Jokisaari, Journal of Nuclear Materials, Volume 576 (2023) 154289
2022
An ab initio molecular dynamics investigation of the thermophysical properties of molten NaCl-MgCl2, Kai Duemmler, Michael Woods, Toni Karlsson, Ruchi Gakhar, Benjamin Beeler, Journal of Nuclear Materials, Volume 570 (2022) 153916
Analyzing the effect of pressure on the properties of point defects in γU–Mo through atomistic simulations, Benjamin Beeler, Yongfeng Zhang, ATM Jahid Hasan, Gyuchul Park, Shenyang Hu, Zhi-Gang Mei, MRS Advances, Volume 8 (2022) 1-5
Ab initio molecular dynamics (AIMD) simulations of NaCl, UCl3 and NaCl-UCl3 molten salts, DA Andersson, Ben W Beeler, Journal of Nuclear Materials, Volume 568 (2022) 153836
Investigation of γ-(U, Zr) structural properties and its interfacial properties with liquid sodium using ab initio molecular dynamics, Ahmed Aly, Benjamin Beeler, Maria Avramova, Journal of Nuclear Materials, Vol. 567 (2022) 153835
The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline alpha-uranium, Andrea Jokisaari, Khadija Mahbuba, Yuhao Wang, Benjamin Beeler, Computational Materials Science, Volume 205 (2022) 111217
Ab initio molecular dynamics investigation of gamma-(U,Zr) structural and thermal properties as a function of temperature and composition, Ahmed Aly, Benjamin Beeler, Maria Avramova, Journal of Nuclear Materials Volume 561 (2022) 153523
Evaluation of thermophysical properties of the LiCl-KCl system via ab initio and experimental methods, Kai Duemmler, Yuxiao Lin, Michael Woods, Toni Karlsson, Ruchi Gakhar, Benjamin Beeler, Journal of Nuclear Materials, Volume 559 (2022) 153414
Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel, Larry K. Aagesen, Albert Casagranda, Christopher Matthews, Benjamin W. Beeler, Stephen Novascone, Materials Theory, 6, Article number: 8 (2022)
2021
Density functional theory calculations of the thermodynamic and kinetic properties of point defects in β-U, DA Andersson, C Matthews, Y Zhang, B Beeler, Journal of Nuclear Materials, 557 (2021) 153238
Irradiation-enhanced diffusion and diffusion-limited creep in U3Si2, Michael William Donald Cooper, Kyle A Gamble, Laurent Capolungo, Christopher Matthews, DA Andersson, Benjamin Beeler, Christopher Richard Stanek, Kallie Metzger, Journal of Nuclear Materials 555 (2021) 153129
Improvement of the BISON U3Si2 modeling capabilities based on multiscale developments to modeling fission gas behavior, KA Gamble, G Pastore, MWD Cooper, DA Andersson, C Matthews, B Beeler, LK Aagesen, T Barani, D Pizzocri, Journal of Nuclear Materials, 555 (2021) 153097
Evaluation of the anisotropic grain boundaries and surfaces of α-U via molecular dynamics, K Mahbuba, B Beeler, A Jokisaari, Journal of Nuclear Materials 554 (2021) 153072
An atomistic study of defect energetics and diffusion with respect to composition and temperature in γU and γU-Mo alloys, G Park, B Beeler, MA Okuniewski, Journal of Nuclear Materials 552 (2021) 152970
Determination of thermal expansion, defect formation energy, and defect-induced strain of α-U via ab initio molecular dynamics, B Beeler, K Mahbuba, Y Wang, A Jokisaari, Frontiers in Materials 8 (2021) 188
Gas Bubble Evolution in Polycrystalline UMo Fuels Under Elastic-Plastic Deformation: A Phase-Field Model With Crystal-Plasticity, S Hu, B Beeler, Frontiers in Materials, 8 (2021) 173
Ab initio molecular dynamics investigation of point defects in γ-U, B Beeler, D Andersson, C Jiang, Y Zhang, Journal of Nuclear Materials, 545 (2021) 152714
Radiation driven diffusion in γU-Mo, B Beeler, MWD Cooper, ZG Mei, D Schwen, Y Zhang, Journal of Nuclear Materials, 543 (2021) 152568