Abstract:We have studied the double effects of anisotropic strain and temperature on the dissolution behavior of hydrogen (H) in tungsten (W) by using first-principles calculation combined with thermodynamic model. The strain and temperature effects are reflected by uniaxial/biaxial strain loading and vibrational Helmholtz free energy, respectively. We calculated the dissolution energy of the H atom at four different interstitial sites of TIS(1), TIS(2), OIS(1) and OIS(2). For TIS(2), OIS(1) and OIS(2), the dissolution… Show more
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