Mathematical models of martensitic microstructure

Martensitic microstructures are studied using variational models based on nonlinear elasticity. Some relevant mathematical tools from nonlinear analysis are described, and applications given to austenite-martensite interfaces and related topics

Interplay of growth mode and thermally induced spin accumulation in epitaxial Al/Co2_2TiSi/Al and Al/Co2_2TiGe/Al contacts

The feasibility of thermally driven spin injectors built from half-metallic Heusler alloys inserted between aluminum leads was investigated by means of {\em ab initio} calculations of the thermodynamic equilibrium and electronic transport. We have focused on two main issues and found that: (i) the interface between Al and the closely lattice-matched Heusler alloys of type Co$_2$Ti$Z$ ($Z=$ Si or Ge) is stable under various growth conditions; and (ii) the conventional and spin-dependent Seebeck coefficients in such heterojunctions exhibit a strong dependence on both the spacer and the atomic composition of the Al/Heusler interface. The latter quantity gives a measure of the spin accumulation and varies between $+8$~$\mu$V/K and $-3$~$\mu$V/K near $300$~K, depending on whether a Ti-Ge or a Co-Co plane makes the contact between Al and Co$_2$TiGe in the trilayer. Our results show that it is in principle possible to tailor the spin-caloric effects by a targeted growth control of the samples.Comment: 16 pages, 13 figure

Review on Slip Transmission Criteria in Experiments and Crystal Plasticity Models

A comprehensive overview is given of the literature on slip transmission criteria for grain boundaries in metals, with a focus on slip system and grain boundary orientation. Much of this extensive literature has been informed by experimental investigations. The use of geometric criteria in continuum crystal plasticity models is discussed. The theoretical framework of Gurtin (2008, J. Mech. Phys. Solids 56, p. 640) is reviewed for the single slip case. This highlights the connections to slip transmission criteria from the literature that are not discussed in the work itself. Different geometric criteria are compared for the single slip case with regard to their prediction of slip transmission. Perspectives on additional criteria, investigated in experiments and used in computational simulations, are given.Comment: in Journal of Materials Science, 201

Nano-structures at martensite macrotwin interfaces in Ni65Al35Ni_{65}Al_{35}

The atomic configurations at macrotwin interfaces between microtwinned martensite plates in $Ni_{65}Al_{35}$ material are investigated using transmission electron microscopy. The observed structures are interpreted in view of possible formation mechanisms for these interfaces. A distinction is made between cases in which the microtwins, originating from mutually perpendicular \{110\} austenite planes, enclose a final angle larger or smaller than $90^{\circ}$. Two different configurations, a crossing and a step type are described. Depending on the actual case, tapering, bending and tip splitting of the smaller microtwin variants are observed. The most reproducible deformations occur in a region of approximately 5-10nm width around the interface while a variety of structural defects are observed further away from the interface. These structures and deformations are interpreted in terms of the coalescence of two separately nucleated microtwinned martensite plates and the need to accommodate remaining stresses

Growth and thermal stability of TiN/ZrAlN: Effect of internal interfaces

Wear resistant hard films comprised of cubic transition metal nitride (c-TMN) and metastable c-AlN with coherent interfaces have a confined operating envelope governed by the limited thermal stability of metastable phases. However, equilibrium phases (c-TMN and wurtzite(w)-AlN) forming semicoherent interfaces during film growth offer higher thermal stability. We demonstrate this concept for a model multilayer system with TiN and ZrAlN layers where the latter is a nanocomposite of ZrN- and AlN- rich domains. The interfaces between the domains are tuned by changing the AlN crystal structure by varying the multilayer architecture and growth temperature. The interface energy minimization at higher growth temperature leads to formation of semicoherent interfaces between w-AlN and c-TMN during growth of 15 nm thin layers. Ab initio calculations predict higher thermodynamic stability of semicoherent interfaces between c-TMN and w-AlN than isostructural coherent interfaces between c-TMN and c-AlN. The combination of a stable interface structure and confinement of w-AlN to nm-sized domains by its low solubility in c-TMN in a multilayer, results in films with a stable hardness of 34 GPa even after annealing at 1150 °C.Peer ReviewedPostprint (author's final draft

Level Set Jet Schemes for Stiff Advection Equations: The SemiJet Method

Many interfacial phenomena in physical and biological systems are dominated by high order geometric quantities such as curvature. Here a semi-implicit method is combined with a level set jet scheme to handle stiff nonlinear advection problems. The new method offers an improvement over the semi-implicit gradient augmented level set method previously introduced by requiring only one smoothing step when updating the level set jet function while still preserving the underlying methods higher accuracy. Sample results demonstrate that accuracy is not sacrificed while strict time step restrictions can be avoided

The asymptotic homogenization elasticity tensor properties for composites with material discontinuities

The classical asymptotic homogenization approach for linear elastic composites with discontinuous material properties is considered as a starting point. The sharp length scale separation between the fine periodic structure and the whole material formally leads to anisotropic elastic-type balance equations on the coarse scale, where the arising fourth rank operator is to be computed solving single periodic cell problems on the fine scale. After revisiting the derivation of the problem, which here explicitly points out how the discontinuity in the individual constituents’ elastic coefficients translates into stress jump interface conditions for the cell problems, we prove that the gradient of the cell problem solution is minor symmetric and that its cell average is zero. This property holds for perfect interfaces only (i.e., when the elastic displacement is continuous across the composite’s interface) and can be used to assess the accuracy of the computed numerical solutions. These facts are further exploited, together with the individual constituents’ elastic coefficients and the specific form of the cell problems, to prove a theorem that characterizes the fourth rank operator appearing in the coarse-scale elastic-type balance equations as a composite material effective elasticity tensor. We both recover known facts, such as minor and major symmetries and positive definiteness, and establish new facts concerning the Voigt and Reuss bounds. The latter are shown for the first time without assuming any equivalence between coarse and fine-scale energies (Hill’s condition), which, in contrast to the case of representative volume elements, does not identically hold in the context of asymptotic homogenization. We conclude with instructive three-dimensional numerical simulations of a soft elastic matrix with an embedded cubic stiffer inclusion to show the profile of the physically relevant elastic moduli (Young’s and shear moduli) and Poisson’s ratio at increasing (up to 100 %) inclusion’s volume fraction, thus providing a proxy for the design of artificial elastic composites