Shape sensitivity analysis of stress intensity factors by Generalized J-integrals

We consider an elastic plate with the non-deformed shape Ω_Σ := Ω \ Σ, where Ω is a domain bounded by a smooth closed curve Γ and Σ ⊂ Ω is a curve with the end points {γ₁, γ₂}. If the force g is given on the part Γ_N of Γ, the displacement u is fixed on Γ_D := Γ \ Γ_N and the body force f is given in Ω, then the displacement vector u(x) = (u₁(x), u₂(x)) has unbounded derivatives (stress singularities) near γ_k, k = 1, 2    u(x) = ∑²_{k, l=1} K_l(γ_k)r^1/2_kS^C_kl(θ_k) + u_R(x)     near γ_k. Here (r_k, θ_k) denote local curvilinear polar co-ordinates near γ_k, k = 1, 2, S^C_kl (θ_k) are smooth functions defined on [−π, π] and u_R(x) ∈ {H²(near γ_k)}². The constants K_l(γ_k),   l = 1, 2, which are called the stress intensity factors at γ_k (abbr. SIFs), are important parameters in fracture mechanics. We notice that the stress intensity factors K_l(γ_k) (l = 1, 2;  k = 1, 2) are functionals K_l(γ_k) = K_l(γ_k; ℒ︁, Ω, Σ) depending on the load ℒ︁, the shape of the plate Ω and the shape of the crack Σ. We say that the crack Σ is safe, if K_l(γ_k; Ω)² + K₂(γ_k; Ω)² < RẼ. By a small change of Ω the shape Σ can change to a dangerous one, i.e. we have K₁(γ_k; Ω)² + K₂(γ_k; Ω)² ⩾ RẼ. Therefore it is important to know how K_l(γ_k) depends on the shape of Ω. For this reason, we calculate the Gâteaux derivative of K_l(γ_k) under a class of domain perturbations which includes the approximation of domains by polygonal domains and the Hadamard's parametrization Γ(τ) := {x + τϕ(x)n(x);  x ∈ Γ}, where ϕ is a function on Γ and n is the outward unit normal on Γ. The calculations are quite delicate because of the occurrence of additional stress singularities at the collision points {γ₃, γ₄} = Γ _D ∩ Γ _N. The result is derived by the combination of the weight function method and the Generalized J-integral technique (abbr. GJ-integral technique). The GJ-integrals have been proposed by the first author in order to express the variation of energy (energy release rate) by extension of a crack in a 3D-elastic body. This paper begins with the weak solution of the crack problem, the weight function representation of SIF's, GJ-integral technique and finish with the shape sensitivity analysis of SIF's. GJ-integral J_ω(u; X) is the sum of the P-integral (line integral) P_ω(u, X) and the R-integral (area integral) R_ω(u, X). With the help of the GJ-integral technique we derive an R-integral expression for the shape derivative of the potential energy which is valid for all displacement fields u ∈ H¹. Using the property that the GJ-integral vanishes for all regular fields u ∈ H² we convert the R-integral expression for the shape derivative to a P-integral expression. © 1998 B. G. Teubner Stuttgart—John Wiley & Sons, Ltd.     

Synthesis and Reversible H2 Activation by Coordinatively Unsaturated Rhodium NHC Complexes

We report the synthesis of coordinatively unsaturated cationic rhodium complexes bearing the sterically encumbered electron-rich NHC ligand IPr*^OMe. The COD (1,5-cyclooctadiene) complex [Rh(IPr*^OMe)(COD)]BF₄ adopts a tilted, pseudo-square planar coordination geometry, where bonding to the ipso-carbon of the NHC aryl substituent was observed in the solid state. Hydrogenation of this complex afforded a metastable dihydride complex [Rh(IPr*^OMe)(H)₂]BF₄ with an unusual internal coordination to an arene of the ligand. In the absence of a hydrogen atmosphere, spontaneous reductive elimination of H₂ afforded a rhodium complex [Rh(IPr*^OMe)]BF₄ with a single chelating ligand that stabilizes the highly unsaturated metal by two-fold π-face donation as suggested by NMR spectroscopy and computational studies. This unusual complex might serve as a versatile precatalyst for a variety of transformations.