Effects of transmutation elements in tungsten

Abstract

Tungsten (W) is widely considered as the most promising plasma facing material (PFM), which will be used in nuclear fusion devices. Due to the transmutation reaction caused by the fusion neutron irradiation, transmutation elements (such as Re, Os, and Ta) are generated in the W-based PFM during the operation of nuclear fusion devices. In this paper, transmutation elements effects on mechanical properties of the W and the behavior of hydrogen/helium (H/He) atom in the W were investigated by using the firstprinciples calculation method. The results show that the ductility of the W is enhanced by transmutation elements if dislocation and other defects were ignored, while mechanical properties of the W incompletely depend on transmutation elements content.

Progress and Challenges of Additive Manufacturing of Tungsten and Alloys as Plasma-Facing Materials

“…These transmutation elements alter vacancy formation behaviors and they can affect properties such as the ductility and diffusion pathways of light gas elements [137]. The formation energy of these light gas elements was found to decrease due to the presence of transmutation elements, though their preferred site of formation was unaltered [137].…”

Effect of transmutation rhenium on tensile properties of tungsten by molecular dynamics simulation

“…Alloying Re with W also reduces radiation swelling [23]. Density functional theory (DFT) shows that transmutation elements enhance W's ductility, and mechanical properties depend on transmutation elements content [24,25]. A all-electron exact muffin-tin orbitals (EMTO) method shows that the ductility of the W-Re alloys enhances with increasing Re content, with a slightly increased elastic anisotropy of BCC W [26].…”

Electronic structure and optical properties of doped γ-CuI scintillator: a first-principles study

“…With the rapid development of computer technology, theoretical simulation is playing an increasingly important role in materials science. [23][24][25][26][27] Signicantly, rst principles calculation method is more and more widely used in the research of novel scintillator materials. [28][29][30] Several fundamental limits to scintillator performance are being investigated.…”