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Sublet, J.-Ch.*; Bondarenko, I. P.*; Bonny, G.*; Conlin, J. L.*; Gilbert, M. R.*; Greenwood, L. R.*; Griffin, P. J.*; Helgesson, P.*; Iwamoto, Yosuke; Khryachkov, V. A.*; et al.
European Physical Journal Plus (Internet), 134(7), p.350_1 - 350_50, 2019/07
Times Cited Count:18 Percentile:54.51(Physics, Multidisciplinary)Nuclear reaction with nuclear data is the origin of defects produced by cascade damage in irradiated materials. Therefore, it is important to consider nuclear reaction correctly for calculations of the damage energy of Primary Knock on Atom (PKA) and the number of Displacement Per Atom (DPA). Here, radiation damage metrics considering nuclear reaction enables us to simulate transport of each defect and clustering defects in the irradiated material. This paper reviews the theory of nuclear reaction and damage energy and describes the latest methodologies about uncertainty propagation and quantification in nuclear data and damage calculations based on molecular dynamics.
Vela, S.*; Mota, F.*; Deumal, M.*; Suizu, Rie*; Shuku, Yoshiaki*; Mizuno, Asato*; Awaga, Kunio*; Shiga, Motoyuki; Novoa, J.*; Ribas-Arino, J.*
Nature Communications (Internet), 5, p.4411_1 - 4411_9, 2014/07
Recent years have witnessed a growing interest in the use of organic radicals as building blocks for bistable materials, i.e. materials that exist in two inter-exchangeable phases under identical thermodynamic conditions. The neutral radical TTTA is a prominent dithiazolyl-based compound because of its spin transition with a hysterisis nature near the room temperature. From ab initio molecular dynamics simulations, it has been evident that this phase transition is driven by the pair exchange dynamics of molecular stacking units accompanied by a significant gain of vibrational entropy.
Ozawa, Akira*; Matsuta, Kensaku*; Nagatomo, Takashi*; Mihara, Mototsugu*; Yamada, Kazunari*; Yamaguchi, Takayuki*; Otsubo, Takashi*; Momota, Sadao*; Izumikawa, Takuji*; Sumikama, Toshiyuki*; et al.
Physical Review C, 74(2), p.021301_1 - 021301_4, 2006/08
Times Cited Count:43 Percentile:89.22(Physics, Nuclear)no abstracts in English