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Properties of point defects resulting from the incorporation of inert-gasatoms in bcc tungsten are investigated systematically using first-principlesdensity functional theory (DFT) calculations. The most stable configuration forthe interstitial neon, argon, krypton and xenon atoms is the tetrahedral site,similarly to what was found earlier for helium in W. The calculated formationenergies for single inert-gas atoms at interstitial sites as well as atsubstitutional sites are much larger for Ne, Ar, Kr and Xe than for He. Whilethe variation of the energy of insertion of inert-gas defects into interstitialconfigurations can be explained by a strong effect of their large atomic size,the trend exhibited by their substitutional energies is more likely related tothe covalent interaction between the noble gas impurity atoms and the tungstenatoms. There is a remarkable variation exhibited by the energy of interactionbetween inert-gas impurities and vacancies, where a pronounced size effect isobserved when going from He to Ne, Ar, Kr, Xe. The origin of this trend isexplained by electronic structure calculations showing that p-orbitals play animportant part in the formation of chemical bonds between a vacancy and an atomof any of the four inert-gas elements in comparison with helium, where thelatter contains only 1s2 electrons in the outer shell. The binding energies ofa helium atom trapped by five different defects (He-v, Ne-v, Ar-v, Kr-v, Xe-v,where v denotes a vacancy in bcc-W) are all in excellent agreement withexperimental data derived from thermal desorption spectroscopy. Attachment ofHe clusters to inert gas impurity atom traps in tungsten is analysed as afunction of the number of successive trapping helium atoms. Variation of theYoung modulus due to inert-gas impurities is analysed on the basis of dataderived from DFT calculations.

Trapping of He Clusters by Inert-Gas Impurities in Tungsten: First-Principles Predictions and Experimental Validation