Publications

Adcock, C., Ananthan, S., Berger-Vergiat, L., Brazell, M., Brunhart-Lupo, N., Hu, J.J., Knaus, R.C., Melvin, J., Moser, B., Mullowney, P., Rood, J., Sharma, A., Thomas, S., Vijayakumar, G., Williams, A.B., Wilson, R., Yamazaki, I., & Sprague, M. (2021). FY2021 Q4: Demonstrate moving-grid multi-turbine simulations primarily run on GPUs and propose improvements for successful KPP-2 [Slides]. 10.2172/1855023

Author, N. (2021). SIERRA Low Mach Module: Fuego User Manual (V.5.2). 10.2172/1855008

Price, L.L., Foulk, J.W., Basurto, E., Alsaed, A.A., Cardoni, J., Nole, M.A., Prouty, J., Sanders, C., Davidson, G., Swinney, M., Bhatt, S., Gonzalez, E., & Kiedrowski, B. (2021). Repository-Scale Performance Assessment Incorporating Postclosure Criticality. 10.2172/1872179

Young, J., Wilson, D.G., Weaver, W.W., & Robinett, R.D. (2021). Supervisory Optimal Control for Photovoltaics Connected to an Electric Power Grid [Slides] [Conference Presentation]. 10.2172/1886167

Crane, N.K., Day, D.M., Dohrmann, C.R., Stevens, B., Lindsay, P., Hardesty, S., Vo, J., Bunting, G., & Walsh, T. (2021). Sierra/SD - User's Manual (V.5.2). 10.2172/1854739

Ambrosini, A., Bush, H.E., Gao, X.M., Berquist, Z., Anbar, N., Stechel, E.B., & Miller, J.E. (2021). Metal nitride materials for solar-thermal ammonia production [Slides] [Conference Presentation]. 10.2172/1890870

Mendez Granado, J.P., Mamaluy, D., Gao, X., & Misra, S. (2021). Quantum Transport Simulations for Si:P δ-layer Tunnel Junctions [Conference Paper]. 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD). https://doi.org/10.1109/sispad54002.2021.9592565

Gao, X., Mendez Granado, J.P., Lu, T.M., Anderson, E.M., Campbell, D.M., Ivie, J.A., Schmucker, S.W., Grine, A., Lu, P., Tracy, L.A., Arghavani, R., & Misra, S. (2021). Modeling and Assessment of Atomic Precision Advanced Manufacturing (APAM) Enabled Vertical Tunneling Field Effect Transistor [Conference Presentation]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. 10.2172/1867273

Gao, X., Anbar, N., Ermanoski, I., Ambrosini, A., & Stechel, E.B. (2021). Synthesis of Metal Nitrides for Solar Thermochemical Ammonia Production (STAP) [Slides] [Conference Presentation]. 10.2172/1890608

Mendez Granado, J.P., Gao, X., Mamaluy, D., & Misra, S. (2021). Quantum Transport Simulations for Si:P δ-layer Tunnel Junctions [Conference Presentation]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. 10.1109/sispad54002.2021.9592565

de la Calle, A., Bush, H.E., Ermanoski, I., Ambrosini, A., & Stechel, E.B. (2021). Solar-Thermal Ammonia Production: System Design and Technoeconomic Analysis [Slides] [Conference Presentation]. 10.2172/1890590

Littlewood, D.J., Wood, M.A., de Zapiain, D.M., Rajamanickam, S., & Trask, N.A. (2021). Sandia / IBM Discussion on Machine Learning for Materials Applications [Slides]. 10.2172/1828106

Pegues, J.W., Melia, M.A., Rodriguez, M.A., Babuska, T.F., Gould, B., Argibay, N., Greco, A., & Kustas, A.B. (2021). In situ synchrotron X-ray imaging and mechanical properties characterization of additively manufactured high-entropy alloy composites. Journal of Alloys and Compounds, 876. 10.1016/j.jallcom.2021.159505

Christenson, P.J., Flanagan, T.M., & Cartwright, K. (2021). EMPIRE Simulations of the July 2020 photoelectron driven cavity B-Dot experiments at the National Ignition Facility. 10.2172/1822124

Bryan, C.R., Knight, A.W., Nation, B.L., Montoya, T., Karasz, E., Katona, R.M., & Schaller, R.F. (2021). SNF Interim Storage Canister Corrosion and Surface Environment Investigations (FY21 Status Report). 10.2172/1825847

Blondal, K., Sargsyan, K., Bross, D.H., Ruscic, B., & Goldsmith, C.F. (2021). Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties. Journal of Physical Chemistry C, 125(37), pp. 20249-20260. https://doi.org/10.1021/acs.jpcc.1c04009

Thompson, A.P., Aktulga, H.M., Berger, R., Bolintineanu, D.S., Brown, W.M., Crozier, P., In 'T Veld, P.J., Kohlmeyer, A., Moore, S.G., Nguyen, T.D., Shan, R., Stevens, M.J., Tranchida, J., Trott, C.R., & Plimpton, S.J. (2021). $\mathrm{LAMMPS}$ - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications, 271. https://doi.org/10.1016/j.cpc.2021.108171

Rice, A., & Crawford, M.H. (2021). Chemical Vapor Deposition of Cubic Boron Nitride. 10.2172/1821316

Bran Anleu, G.A., Hecht, E.S., & MacHalek, D.M. (2021). Influence of Non-Equilibrium Conditions on Liquid Hydrogen Storage Tank Behavior [Slides] [Conference Presentation]. 10.2172/1887049

Rimsza, J., Jones, R.E., Trageser, J., Hogancamp, J., Foulk, J.W., Mitts, C., Mitchell, C.A.M., Taha, M.R., Raby, P., Regueiro, R.A., & Jadaan, D. (2021). Integrated Multiphysics Modeling of Environmentally Assisted Brittle Fracture. 10.2172/1821258

Hattar, K., Lang, E.J., Devaraj, A., & Roach, C. (2021). Comparing Neutron and Ion Irradiation by Atom Probe Tomography and In-situ Electron Microscopy [Slides] [Conference Presentation]. 10.2172/1888138

Griffith, S. (2021). 2020 Annual Site Environmental Report for Sandia National Laboratories, Tonopah Test Range, Nevada, and Kaua'i Test Facility, Hawai'i [Presentation]. 10.2172/1821146

Busch, S., Wu, A., & Cho, S. (2021). Catalyst-Heating Operation in a Medium-Duty Diesel Engine: Operating Strategy Calibration, Fuel Reactivity, and Fuel Oxygen Effects [Conference Paper]. SAE Technical Papers. 10.4271/2021-01-1182

Nguyen, N.P., Farr, T.P., Bush, H.E., Ambrosini, A., & Loutzenhiser, P.G. (2021). Air separation via two-step solar thermochemical cycles based on SrFeO3−δand (Ba,La)0.15Sr0.85FeO3−δperovskite reduction/oxidation reactions to produce N2: rate limiting mechanism(s) determination. Physical Chemistry Chemical Physics, 23(35), pp. 19280-19288. 10.1039/d1cp03303d

Acosta Perez, L. (2021). Development of electronically passivating surfaces to enhance battery performance. 10.2172/1821259