Staff information

PNNL Publications

2023

• Ghosh S., M. Jain, H. Lee, and K.J. Roche. 2023. Proxy Applications for Converged Workloads: DMC LDRD Initiative. PNNL-34841. Richland, WA: Pacific Northwest National Laboratory. Proxy Applications for Converged Workloads: DMC LDRD Initiative

2021

• Jin S., K.J. Roche, I. Stetcu, I. Abdurrahman, and A. Bulgac. 2021. "The LISE package: solvers for static and time-dependent superfluid local density approximation equations in three dimensions." Computer Physics Communications 269. PNNL-SA-156035. doi:10.1016/j.cpc.2021.108130

2020

• Alexander F.J., A. Almgren, J. Bell, A. Bhattacharjee, J.H. Chen, P. Colella, and D. Daniel, et al. 2020. "Exascale applications: skin in the game." Philosophical Transactions of the Royal Society A. Mathematical, Physical & Engineering Sciences 378, no. 2166:Article No. 20190056. PNNL-SA-150649. doi:10.1098/rsta.2019.0056
• Nandipati G., W. Setyawan, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2020. "Effect of Confinement of SIA Cluster Diffusion by Impurities on Radiation Defect Accumulation due to 14MeV neutrons in Tungsten." Journal of Nuclear Materials 542. PNNL-SA-152087. doi:10.1016/j.jnucmat.2020.152402

2019

• Bulgac A., S. Jin, K.J. Roche, N. Schunck, and I. Stetcu. 2019. "Fission dynamics of 240Pu from saddle to scission and beyond." Physical Review C 100, no. 3:Article No. 034615. PNNL-SA-150226. doi:10.1103/PhysRevC.100.034615

2018

• Setyawan W., M.W. Cooper, K.J. Roche, R.J. Kurtz, B.P. Uberuaga, D. Andersson, and B.D. Wirth. 2018. "Atomistic Model of Xenon Gas Bubble Re-solution Rate due to Thermal Spike in Uranium Oxide." Journal of Applied Physics 124, no. 7:Article No. 075107. PNNL-SA-135027. doi:10.1063/1.5042770

2016

• Bulgac A., P. Magierski, K.J. Roche, and I. Stetcu. 2016. "Induced Fission of 240Plutonium within a Real-Time Microscopic Framework." Physical Review Letters 116, no. 12:Article No. 122504. PNNL-SA-114173. doi:10.1103/PhysRevLett.116.122504
• Nandipati G., W. Setyawan, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2016. "OBJECT KINETIC MONTE CARLO SIMULATIONS OF RADIATION DAMAGE ACCUMULATION IN TUNGSTEN." In Fusion Materials Semiannual Progress Report for Period Ending June 30, 2016, DOE/ER-0313/60. 178-182. Oak Ridge:Oak Ridge National Laboratory. PNNL-SA-120255.

2015

• Nandipati G., W. Setyawan, H.L. Heinisch, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "Displacement cascades and defect annealing in tungsten, Part II: Object kinetic Monte Carlo Simulation of Tungsten Cascade Aging." Journal of Nuclear Materials 462. PNNL-SA-102373. doi:10.1016/j.jnucmat.2014.09.067
• Nandipati G., W. Setyawan, H.L. Heinisch, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters." Journal of Nuclear Materials 462. PNNL-SA-104757. doi:10.1016/j.jnucmat.2015.01.059
• Nandipati G., W. Setyawan, H.L. Heinisch, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "OBJECT KINETIC MONTE CARLO SIMULATIONS OF RADIATION DAMAGE IN BULK TUNGSTEN." In Fusion Semiannual Progress Report for Period Ending June 30, 2015. 262-265. Oak Ridge, Tennessee:Oak Ridge National Lab. PNNL-SA-112369.
• Nandipati G., W. Setyawan, H.L. Heinisch, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "OBJECT KINETIC MONTE CARLO SIMULATIONS OF RADIATION DAMAGE IN TUNGSTEN SUBJECTED TO NEUTRON FLUX WITH PKA SPECTRUM CORRESPONDING TO THE HFIR." In Fusion Reactor Materials Semiannual Progress Report for the Period Ending December 31, 2015. 126-129. DOE/ER-0313/59. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-115642.
• Setyawan W., G. Nandipati, K.J. Roche, H.L. Heinisch, B.D. Wirth, and R.J. Kurtz. 2015. "Displacement cascades and defects annealing in tungsten, Part I: defect database from molecular dynamics simulations." Journal of Nuclear Materials 462. PNNL-SA-102307. doi:10.1016/j.jnucmat.2014.12.056
• Setyawan W., G. Nandipati, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN UP TO 200 KEV OF DAMAGE ENERGY AT 300, 1025, AND 2050 K." In Fusion semiannual Progress Report for the Period Ending June 30, 2015. 272-277. Oak Ridge, Tennessee:Oak Ridge National Lab. PNNL-SA-112368.
• Setyawan W., G. Nandipati, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "MOLECULAR DYNAMICS OF CASCADES OVERLAP IN TUNGSTEN WITH 20-KEV PRIMARY KNOCK-ON ATOMS." In Fusion Reactor Materials Semiannual Progress Report for the Period Ending December 31, 2014. 156-159. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-107572.
• Setyawan W., G. Nandipati, K.J. Roche, R.J. Kurtz, and B.D. Wirth. 2015. "QUANTUM CALCULATIONS OF ENERGETICS OF RHENIUM CLUSTERS IN TUNGSTEN." In Fusion semiannual Progress Report for the Period Ending June 30, 2015. 266-271. Oak Ridge, Tennessee:Oak Ridge National Lab. PNNL-SA-112371.

2013

• Setyawan W., G. Nandipati, K.J. Roche, H.L. Heinisch, R.J. Kurtz, and B.D. Wirth. 2013. "DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN AT 1025 K." In Fusion Materials Semiannual Progress Report for the Period Ending June 30, 2013. 200-204. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-97273.
• Setyawan W., G. Nandipati, K.J. Roche, H.L. Heinisch, R.J. Kurtz, and B.D. Wirth. 2013. "HELIUM EFFECTS ON DISPLACEMENT CASCADE IN TUNGSTEN." In Fusion Materials Semiannual Progress Report for the Period Ending June 30, 2013. 223-227. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-97272.

2012

• Bulgac A., Y. Luo, and K.J. Roche. 2012. "Quantum Shock Waves and Domain Walls in the Real-Time Dynamics of a Superfluid Unitary Fermi Gas." Physical Review Letters 108, no. 15:Article No. 150401. PNNL-SA-83056. doi:10.1103/physrevlett.108.150401
• Nam H.A., M. Stoitsov, W. Nazarewicz, A. Bulgac, G. Hagen, M. Kortelainene, and P. Maris, et al. 2012. "UNEDF: Advanced Scienti?c Computing Collaboration Transforms the Low-Energy Nuclear Many-Body Problem." Journal of Physics: Conference Series 402, no. 1:Article No. 012033. PNNL-SA-83190. doi:10.1088/1742-6596/402/1/012033

2011

• Bulgac A., Y. Luo, P. Magierski, K.J. Roche, and Y. Yu. 2011. "Real-Time Dynamics of Quantized Vortices in a Unitary Fermi Superfluid." Science 332, no. 6035:1288-1291. PNNL-SA-78966. doi:10.1126/science.1201968
• Stetcu I., A. Bulgac, P. Magierski, and K.J. Roche. 2011. "Isovector Giant Dipole Resonance from the 3D Time-Dependent Density Functional Theory for Superfluid Nuclei." Physical Review C 84, no. 5:Article No. 051309(R). PNNL-SA-83189. doi:10.1103/PhysRevC.84.051309