{"id":86,"date":"2021-03-18T09:34:14","date_gmt":"2021-03-18T13:34:14","guid":{"rendered":"https:\/\/ne.ncsu.edu\/cnmsg\/?page_id=86"},"modified":"2025-11-18T11:06:56","modified_gmt":"2025-11-18T16:06:56","slug":"pubs","status":"publish","type":"page","link":"https:\/\/ne.ncsu.edu\/cnmsg\/pubs\/","title":{"rendered":"Publications"},"content":{"rendered":"\n


<\/a><\/p>\n\n\n\n

2025<\/p>\n\n\n\n

First-principles investigation of cerium and neodymium diffusion in BCC chromium and vanadium via vacancy-mediated transport<\/a>, Shehab Shousha, Benjamin Beeler, Larry K Aagesen, Geoffrey L Beausoleil II, Maria A Okuniewski, Journal of Nuclear Materials, Volume 617 (2025) 156125<\/p>\n\n\n\n

Versatile cell design for molten fluoride salt spectroscopy: investigating metal-ion speciation in molten fluoride salts<\/a>, Garrett S LeCroy, Linu Malakkal, Michael E Woods, Qiufeng Yang, Benjamin Beeler, Ruchi Gakhar, Journal of the American Chemical Society, Volume 147 (2025) 24814<\/p>\n\n\n\n

Impact of chemical ordering on thermodynamic properties of point defects and Xe substitutional in U-10Mo<\/a>, Ziang Yu, Benjamin Beeler, Yongfeng Zhang, Journal of Nuclear Materials, Volume 615 (2025) 155997<\/p>\n\n\n\n

Atomistic Investigation of Plastic Deformation and Dislocation Motion in Uranium Mononitride<\/a>, Mohamed AbdulHameed, Benjamin Beeler, Antoine Claisse, Applied Sciences, Volume 15 (2025) 2666<\/p>\n\n\n\n

Grain boundary self-diffusion and point defect interactions in \u03b1-U via molecular dynamics<\/a>, Khadija Mahbuba, Benjamin Beeler, Andrea Jokisaari, Journal of Nuclear Materials, Volume 604 (2025) 155521<\/p>\n\n\n\n

A Finite Difference informed Random Walk solver for simulating radiation defect evolution in polycrystalline structures with strongly inhomogeneous diffusivity<\/a>, Zirui Mao, Yulan Li, Gyuchul Park, Benjamin Beeler, Shenyang Hu, Computational Materials Science, Volume 246 (2025) 113371<\/p>\n\n\n\n

2024<\/p>\n\n\n\n

First-principles investigation of lanthanides diffusion in HCP zirconium via vacancy-mediated transport<\/a>, Shehab Shousha, Benjamin Beeler, Larry K Aagesen, Geoffrey L Beausoleil II, Maria A Okuniewski, Journal of Nuclear Materials, Volume 601 (2024) 155310<\/p>\n\n\n\n

Assessment of uranium nitride interatomic potentials<\/a>, Mohamed AbdulHameed, Benjamin Beeler, Conor OT Galvin, Michael WD Cooper, Journal of Nuclear Materials, Volume 600 (2024) 155247<\/p>\n\n\n\n

Assessment of effective elastic constants of U-10Mo fuel: A multiscale modeling and homogenization study<\/a>, Sourabh B Kadambi, Larry K Aagesen, Yongfeng Zhang, Benjamin Beeler, Journal of Nuclear Materials, Volume 599 (2024) 155225<\/p>\n\n\n\n

Calculation of grain boundary diffusion coefficients in \u03b3U-Mo using atomistic simulations<\/a>, ATM Jahid Hasan and Benjamin Beeler, Journal of Nuclear Materials, Volume 598 (2024) 155190<\/p>\n\n\n\n

Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study<\/a>, Shehab Shousha, Sourabh Bhagwan Kadambi, Benjamin Beeler, Boopathy Kombaiah, Physical Review Materials, Volume 8 (2024) 083605<\/p>\n\n\n\n

Magnetism and finite-temperature effects in UZr2: A density functional theory analysis<\/a>, Shehab Shousha and Benjamin Beeler, Journal of Nuclear Materials, Volume 595 (2024) 155037<\/p>\n\n\n\n

KCl-UCl3 molten salts investigated by Ab Initio Molecular Dynamics (AIMD) simulations: A comparative study with three dispersion models<\/a><\/a>, Anders David Ragnar Andersson, Gaoxue Wang, Ping Yang, Benjamin Beeler, Journal of Nuclear Materials, Volume 599 (2024) 155226<\/p>\n\n\n\n

Thermophysical properties and unexpected viscosity of liquid (U, Zr): An atomistic investigation<\/a>, Julien Tranchida, Flavie Nicaud, BW Beeler, Emeric Bourasseau, The Journal of Chemical Physics, Volume 160 (2024) 214507<\/p>\n\n\n\n

First-principles investigation of the thermophysical properties of NaCl, PuCl3, and NaCl-PuCl3 Molten salts<\/a>, Kai Duemmler, David Andersson, Benjamin Beeler, Journal of Nuclear Materials, Volume 591 (2024) 154902<\/p>\n\n\n\n

2023<\/p>\n\n\n\n

An ab initio molecular dynamics study of varied compositions of the LiF-NaF-KF molten salt<\/a>, Veronica Heyl and Benjamin Beeler, Journal of Nuclear Materials, Volume 585 (2023) 154641<\/p>\n\n\n\n

First-principles-derived transport properties of Molten chloride salts<\/a>, Kai Duemmler, Michael Woods, Toni Karlsson, Ruchi Gakhar, Benjamin Beeler, Journal of Nuclear Materials, Volume 585 (2023) 154601<\/p>\n\n\n\n

Development of an efficient and improved core thermal-hydraulics predictive capability for fast reactors: Summary of research and development activities at the North Carolina state University<\/a>, Nuclear Engineering and Design, Volume 412 (2023) 112474<\/p>\n\n\n\n

Integrated simulation of U-10Mo monolithic fuel swelling behavior<\/a>, Bei Ye, Aaron Oaks, Shenyang Hu, Benjamin Beeler, Jeff Rest, Zhi-Gang Mei, Abdellatif Yacout, Journal of Nuclear Materials, Volume 583 (2023) 154542<\/p>\n\n\n\n

The reconciliation and validation of a combined interatomic potential for the description of Xe in\u00a0\u03b3<\/em>U-Mo<\/a>, Benjamin Beeler, Frontiers in Nuclear Engineering, Volume 2 (2023) 1185448.<\/p>\n\n\n\n

Microstructural and phase changes in alpha uranium investigated via in-situ studies and molecular dynamics<\/a>, 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<\/p>\n\n\n\n

Computational determination of a primary diffusion mode in \u03b3U-10Mo under irradiation<\/a>, Gyuchul Park, Benjamin Beeler, Maria A Okuniewski, Journal of Nuclear Materials, Volume 574 (2023) 154137<\/p>\n\n\n\n

An atomistic study of fundamental bulk and defect properties in \u03b1-uranium<\/a>, Yuhao Wang, Benjamin Beeler, Andrea Jokisaari, Journal of Nuclear Materials, Volume 576 (2023) 154289<\/p>\n\n\n\n

2022<\/p>\n\n\n\n

An ab initio molecular dynamics investigation of the thermophysical properties of molten NaCl-MgCl2<\/a>, Kai Duemmler, Michael Woods, Toni Karlsson, Ruchi Gakhar, Benjamin Beeler, Journal of Nuclear Materials, Volume 570 (2022) 153916<\/p>\n\n\n\n

Analyzing the effect of pressure on the properties of point defects in \u03b3<\/em>U\u2013Mo through atomistic simulations<\/a>, Benjamin Beeler, Yongfeng Zhang, ATM Jahid Hasan, Gyuchul Park, Shenyang Hu, Zhi-Gang Mei, MRS Advances, Volume 8 (2022) 1-5<\/p>\n\n\n\n

Ab initio molecular dynamics (AIMD) simulations of NaCl, UCl3 and NaCl-UCl3 molten salts<\/a>, DA Andersson, Ben W Beeler, Journal of Nuclear Materials, Volume 568 (2022) 153836<\/p>\n\n\n\n

Investigation of \u03b3-(U, Zr) structural properties and its interfacial properties with liquid sodium using ab initio molecular dynamics<\/a>, Ahmed Aly, Benjamin Beeler, Maria Avramova, Journal of Nuclear Materials, Vol. 567 (2022) 153835<\/p>\n\n\n\n

The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline alpha-uranium<\/a>, Andrea Jokisaari, Khadija Mahbuba, Yuhao Wang, Benjamin Beeler, Computational Materials Science, Volume 205 (2022) 111217<\/p>\n\n\n\n

Ab initio molecular dynamics investigation of gamma-(U,Zr) structural and thermal properties as a function of temperature and composition<\/a>, Ahmed Aly, Benjamin Beeler, Maria Avramova, Journal of Nuclear Materials Volume 561 (2022) 153523<\/p>\n\n\n\n

Evaluation of thermophysical properties of the LiCl-KCl system via ab initio<\/em> and experimental methods<\/a>, Kai Duemmler, Yuxiao Lin, Michael Woods, Toni Karlsson, Ruchi Gakhar, Benjamin Beeler, Journal of Nuclear Materials, Volume 559 (2022) 153414<\/p>\n\n\n\n

Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel<\/a>, Larry K. Aagesen, Albert Casagranda, Christopher Matthews, Benjamin W. Beeler, Stephen Novascone, Materials Theory, 6<\/strong>, Article number: 8 (2022)<\/p>\n\n\n\n

2021<\/p>\n\n\n\n

Density functional theory calculations of the thermodynamic and kinetic properties of point defects in \u03b2-U<\/a>, DA Andersson, C Matthews, Y Zhang, B Beeler, Journal of Nuclear Materials, 557 (2021) 153238<\/p>\n\n\n\n

Irradiation-enhanced diffusion and diffusion-limited creep in U3Si2<\/a>, 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<\/p>\n\n\n\n

Improvement of the BISON U3Si2 modeling capabilities based on multiscale developments to modeling fission gas behavior<\/a>, 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<\/p>\n\n\n\n

Evaluation of the anisotropic grain boundaries and surfaces of \u03b1-U via molecular dynamics<\/a>, K Mahbuba, B Beeler, A Jokisaari, Journal of Nuclear Materials 554 (2021) 153072<\/p>\n\n\n\n

An atomistic study of defect energetics and diffusion with respect to composition and temperature in \u03b3U and \u03b3U-Mo alloys<\/a>, G Park, B Beeler, MA Okuniewski, Journal of Nuclear Materials 552 (2021) 152970<\/p>\n\n\n\n

Determination of thermal expansion, defect formation energy, and defect-induced strain of \u03b1-U via ab initio molecular dynamics<\/a>, B Beeler, K Mahbuba, Y Wang, A Jokisaari, Frontiers in Materials 8 (2021) 188<\/p>\n\n\n\n

Gas Bubble Evolution in Polycrystalline UMo Fuels Under Elastic-Plastic Deformation: A Phase-Field Model With Crystal-Plasticity<\/a>, S Hu, B Beeler, Frontiers in Materials, 8 (2021) 173<\/p>\n\n\n\n

Ab initio molecular dynamics investigation of point defects in \u03b3-U<\/a>, B Beeler, D Andersson, C Jiang, Y Zhang, Journal of Nuclear Materials, 545 (2021) 152714<\/p>\n\n\n\n

Radiation driven diffusion in \u03b3U-Mo<\/a>, B Beeler, MWD Cooper, ZG Mei, D Schwen, Y Zhang, Journal of Nuclear Materials, 543 (2021) 152568<\/p>\n","protected":false},"excerpt":{"rendered":"

2025 First-principles investigation of cerium and neodymium diffusion in BCC chromium and vanadium via vacancy-mediated transport, Shehab Shousha, Benjamin Beeler, Larry K Aagesen, Geoffrey L…<\/p>\n","protected":false},"author":226,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"page-landing.php","meta":{"_acf_changed":false,"_exactmetrics_skip_tracking":false,"_exactmetrics_sitenote_active":false,"_exactmetrics_sitenote_note":"","_exactmetrics_sitenote_category":0,"footnotes":""},"class_list":["post-86","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/pages\/86","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/users\/226"}],"replies":[{"embeddable":true,"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/comments?post=86"}],"version-history":[{"count":9,"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/pages\/86\/revisions"}],"predecessor-version":[{"id":235,"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/pages\/86\/revisions\/235"}],"wp:attachment":[{"href":"https:\/\/ne.ncsu.edu\/cnmsg\/wp-json\/wp\/v2\/media?parent=86"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}