Thermal transport study in actinide oxides with point defects |
Resnick, Alex
(Kennesaw State University, Department of Mechanical Engineering)
Mitchell, Katherine (Kennesaw State University, Department of Mechanical Engineering) Park, Jungkyu (Kennesaw State University, Department of Mechanical Engineering) Farfan, Eduardo B. (Kennesaw State University, Department of Mechanical Engineering) Yee, Tien (Kennesaw State University, Department of Mechanical Engineering) |
1 | Y. Lu, Y. Yang, P. Zhang, Thermodynamic properties and structural stability of thorium dioxide, J. Phys. Condens. Matter 24 (22) (2012) 225801. DOI |
2 | P. Martin, D.J. Cooke, R. Cywinski, A molecular dynamics study of the thermal properties of thorium oxide, J. Appl. Phys. 112 (7) (2012), p. 073507. DOI |
3 | T. Arima, S. Yamasaki, Y. Inagaki, K. Idemitsu, Evaluation of thermal properties of UO2 and PuO2 by equilibrium molecular dynamics simulations from 300 to 2000 K, J. Alloy. Comp. 400 (1-2) (2005) 43-50. DOI |
4 | M. Rahman, B. Szpunar, J. Szpunar, The induced anisotropy in thermal conductivity of thorium dioxide and cerium dioxide, Mater. Res. Express 4 (7) (2017), p. 075512. DOI |
5 | J. Park, E.B. Farfan, C. Enriquez, Thermal transport in thorium dioxide, Nuclear Engineering and Technology 50 (2018) 731-737. DOI |
6 | T. Watanabe, S.B. Sinnott, J.S. Tulenko, R.W. Grimes, P.K. Schelling, S.R. Phillpot, Thermal transport properties of uranium dioxide by molecular dynamics simulations, J. Nucl. Mater. 375 (3) (2008) 388-396. DOI |
7 | J. Park, E.B. Farfan, K. Mitchell, A. Resnick, C. Enriquez, T. Yee, Sensitivity of thermal transport in thorium dioxide to defects, J. Nucl. Mater. 504 (2018) 198-205. DOI |
8 | B. Willis, Structures of UO2, UO2+ x andU4O9 by neutron diffraction, J. Phys. 25 (5) (1964) 431-439. DOI |
9 | P.K. Schelling, S.R. Phillpot, P. Keblinski, Comparison of atomic-level simulation methods for computing thermal conductivity, Phys. Rev. B 65 (14) (2002) 144306. DOI |
10 | M. Cooper, S. Middleburgh, R. Grimes, Modelling the thermal conductivity of (U x Th 1-x) O 2 and (U x Pu 1-x) O 2, J. Nucl. Mater. 466 (2015) 29-35. DOI |
11 | J. Park, V. Prakash, Phonon scattering and thermal conductivity of pillared graphene structures with carbon nanotube-graphene intramolecular junctions, J. Appl. Phys. 116 (1) (2014) 014303. DOI |
12 | J. Haschke, T.H. Allen, L.A. Morales, Surface and corrosion chemistry of plutonium, Los Alamos Sci. 26 (2) (2000) 252-273. |
13 | T. Pavlov, et al., Measurement and interpretation of the thermo-physical properties of UO2 at high temperatures: the viral effect of oxygen defects, Acta Mater. 139 (2017) 138-154. DOI |
14 | T. Yamashita, N. Nitani, T. Tsuji, H. Inagaki, Thermal expansions of NpO2 and some other actinide dioxides, J. Nucl. Mater. 245 (1) (1997) 72-78. DOI |
15 | G. Leinders, T. Cardinaels, K. Binnemans, M. Verwerft, Accurate lattice parameter measurements of stoichiometric uranium dioxide, J. Nucl. Mater. 459 (2015) 135-142. DOI |
16 | M. Tada, M. Yoshiya, H. Yasuda, Effect of ionic radius and resultant two-dimensionality of phonons on thermal conductivity in M x CoO 2 (M= Li, Na, K) by perturbed molecular dynamics, J. Electron. Mater. 39 (9) (2010) 1439-1445. DOI |
17 | P. Klemens, The scattering of low-frequency lattice waves by static imperfections, Proc. Phys. Soc. 68 (12) (1955) 1113. DOI |
18 | A. Antropov, K. Fidanyan, V. Stegailov, Phonon density of states for solid uranium: accuracy of the embedded atom model classical interatomic potential, in: Journal of Physics: Conference Series, vol. 946, IOP Publishing, 2018 no. 1, p. 012094. DOI |
19 | T. Petit, C. Lemaignan, F. Jollet, B. Bigot, A. Pasturel, Point defects in uranium dioxide, Phil. Mag. B 77 (3) (1998) 779-786. DOI |
20 | L. Ma, A.K. Ray, Formation energies and swelling of uranium dioxide by point defects, Phys. Lett. 376 (17) (2012) 1499-1505. DOI |
21 | C. Duriez, J.-P. Alessandri, T. Gervais, Y. Philipponneau, Thermal conductivity of hypostoichiometric low Pu content (U, Pu) O2 - x mixed oxide, J. Nucl. Mater. 277 (2-3) (2000) 143-158. DOI |
22 | F. Muller-Plathe, A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity, J. Chem. Phys. 106 (14) (1997) 6082-6085. DOI |
23 | M. Cooper, M. Rushton, R. Grimes, A many-body potential approach to modelling the thermomechanical properties of actinide oxides, J. Phys. Condens. Matter 26 (10) (2014) 105401. DOI |
24 | M.W. Cooper, S.T. Murphy, P.C. Fossati, M.J. Rushton, R.W. Grimes, Thermophysical and anion diffusion properties of (Ux, Th1-x) O2, in: Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences, vol. 470, The Royal Society, 2014, p. 20140427, no. 2171. DOI |
25 | M. Cooper, S. Murphy, M. Rushton, R. Grimes, Thermophysical properties and oxygen transport in the (U x, Pu 1 - x) O 2 lattice, J. Nucl. Mater. 461 (2015) 206-214. DOI |
26 | S. Plimpton, Fast parallel algorithms for short-range molecular dynamics, J. Comput. Phys. 117 (1) (1995) 1-19. DOI |
27 | M. Qin, et al., Thermal conductivity and energetic recoils in UO2 using a many-body potential model, J. Phys. Condens. Matter 26 (49) (2014) 495401. DOI |
28 | J. Fink, Thermophysical properties of uranium dioxide, J. Nucl. Mater. 279 (1) (2000) 1-18. DOI |
29 | J. Park, V. Prakash, Thermal transport in 3D pillared SWCNT-graphene nanostructures, J. Mater. Res. 28 (7) (2013) 940-951. DOI |
30 | M. Cooper, S. Middleburgh, R. Grimes, Modelling the thermal conductivity of (UxTh1-x) O2 and (UxPu1-x) O2, J. Nucl. Mater. 466 (2015) 29-35. DOI |
31 | B.-T. Wang, J.-J. Zheng, X. Qu, W.-D. Li, P. Zhang, Thermal conductivity of UO2 and PuO2 from first-principles, J. Alloy. Comp. 628 (2015) 267-271. DOI |
32 | J. Park, M.F. Bifano, V. Prakash, Sensitivity of thermal conductivity of carbon nanotubes to defect concentrations and heat-treatment, J. Appl. Phys. 113 (3) (2013), p. 034312. DOI |
33 | H. Kim, M.H. Kim, M. Kaviany, Lattice thermal conductivity of UO2 using abinitio and classical molecular dynamics, J. Appl. Phys. 115 (12) (2014) 123510. DOI |
34 | H.-p. Li, R.-q. Zhang, Vacancy-defect-induced diminution of thermal conductivity in silicene, EPL (Europhysics Letters) 99 (3) (2012) 36001. DOI |
35 | N. Wei, Y. Chen, K. Cai, J. Zhao, H.-Q. Wang, J.-C. Zheng, Thermal conductivity of graphene kirigami: ultralow and strain robustness, Carbon 104 (2016) 203-213. DOI |
36 | R. Kavazauri, S. Pokrovskiy, V. Baranov, A. Tenishev, Thermal properties of nonstoichiometry uranium dioxide, in: IOP Conference Series: Materials Science and Engineering, vol. 130, IOP Publishing, 2016 no. 1, p. 012025. |
37 | M. Manley, et al., Measurement of the phonon density of states of PuO 2 (+ 2% Ga): a critical test of theory, Phys. Rev. B 85 (13) (2012) 132301. DOI |
38 | P. Zhang, B.-T. Wang, X.-G. Zhao, Ground-state properties and high-pressure behavior of plutonium dioxide: density functional theory calculations, Phys. Rev. B 82 (14) (2010) 144110. DOI |
39 | R. Prasher, T. Tong, A. Majumdar, An acoustic and dimensional mismatch model for thermal boundary conductance between a vertical mesoscopic nanowire/nanotube and a bulk substrate, J. Appl. Phys. 102 (10) (2007), pp. 104312-10. DOI |
40 | S. Fukushima, T. Ohmichi, A. Maeda, H. Watanabe, The effect of yttrium content on the thermal conductivity of near-stoichiometric (u,y) o2 solid solutions, J. Nucl. Mater. 102 (1-2) (1981) 30-39. DOI |
41 | R. Gibby, The effect of plutonium content on the thermal conductivity of (U, Pu) O2 solid solutions, J. Nucl. Mater. 38 (2) (1971) 163-177. DOI |
42 | M. Manley, et al., Phonon density of states of -and -plutonium by inelastic x-ray scattering, Phys. Rev. B 79 (5) (2009), p. 052301. DOI |