Duancheng Ma

The use of flat punch indentation to determine the viscoelastic properties in the time and frequency domains of a soft layer bonded to a rigid substrate

This paper reports a computational study of the indentation of a flat punch into a compressible elastic layer (with Poissons ratio varying from 0 to 0.49) bonded to a rigid substrate. Based on the computational results and using Sneddons solution [Sneddon IN. The relation between load and penetration in the axisymmetric Boussinesq problem for a punch of arbitrary profile. Int J Eng Sci 1965;3:47] and the asymptotic solution [Jaffar MJ. A general solution to the axisymmetric frictional contact problem of a thin bonded elastic layer. Proc Inst Mech Eng C 1997;211:549; Yang FQ. Asymptotic solution to axisymmetric indentation of a compressible elastic thin film. Thin Solid Films 2006;515:2274] as the two limits, a simple expression of the load-depth curve valid for an arbitrary ratio of the indenter radius to the thickness of the layer is obtained. Further, a correlation between indentation load and depth for a rigid flat punch indenting into linearly viscoelastic layers bonded to a rigid substrate is proposed by using the correspondence principle. Several procedures are suggested based on the results reported in this study to determine the viscoelastic properties of the layer in the time or frequency domains. The findings are verified by numerical examples. The results may facilitate the use of depth-sensing indentation tests to characterize the mechanical properties of polymeric films or functional coatings on hard substrates, and some biological materials, e.g. articular cartilage.

Theory-Guided Materials Design of Multi-Phase Ti-Nb Alloys with Bone-Matching Elastic Properties

We present a scale-bridging approach for modeling the integral elastic response of polycrystalline composite that is based on a multi-disciplinary combination of (i) parameter-free first-principles calculations of thermodynamic phase stability and single-crystal elastic stiffness; and (ii) homogenization schemes developed for polycrystalline aggregates and composites. The modeling is used as a theory-guided bottom-up materials design strategy and applied to Ti-Nb alloys as promising candidates for biomedical implant applications. The theoretical results (i) show an excellent agreement with experimental data and (ii) reveal a decisive influence of the multi-phase character of the polycrystalline composites on their integral elastic properties. The study shows that the results based on the density functional theory calculations at the atomistic level can be directly used for predictions at the macroscopic scale, effectively scale-jumping several orders of magnitude without using any empirical parameters.

Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment

Lattice distortions constitute one of the main features characterizing high entropy alloys. Local lattice distortions have, however, only rarely been investigated in these multi-component alloys. We, therefore, employ a combined theoretical electronic structure and experimental approach to study the atomistic distortions in the FeCoNiCrMn high entropy (Cantor) alloy by means of density-functional theory and extended X-ray absorption fine structure spectroscopy. Particular attention is paid to element-resolved distortions for each constituent. The individual mean distortions are small on average, <1%, but their fluctuations (i.e., standard deviations) are an order of magnitude larger, in particular for Cr and Mn. Good agreement between theory and experiment is found.

“Treasure maps” for magnetic high-entropy-alloys from theory and experiment

The critical temperature and saturation magnetization for four- and five-component FCC transition metal alloys are predicted using a formalism that combines density functional theory and a magnetic mean-field model. Our theoretical results are in excellent agreement with experimental data presented in both this work and in the literature. The generality and power of this approach allow us to computationally design alloys with well-defined magnetic properties. Among other alloys, the method is applied to CoCrFeNiPd alloys, which have attracted attention recently for potential magnetic applications. The computational framework is able to predict the experimentally measured TC and to explore the dominant mechanisms for alloying trends with Pd. A wide range of ferromagnetic properties and Curie temperatures near room temperature in hitherto unexplored alloys is predicted in which Pd is replaced in varying degrees by, e.g., Ag, Au, and Cu.

Star-Shaped Crystallographic Cracking of Localized Nanoporous Defects

On self-assembled monolayer-covered Cu-Au substrates, localized volume shrinkage at initial dealloying sites leads to cracks within the attacked regions. It is started from well-controlled surface structures to gain fundamental insights in the driving mechanisms of localized corrosion and crack formation. Both the crack density and the crack morphology are critically dependent on surface orientation, crystallography, and inhibitor molecule species.

From insect scales to sensor design: modelling the mechanochromic properties of bicontinuous cubic structures

Many of the three-dimensional photonic crystals occurring in the scales of insects have bicontinuous cubic structures. Their optical properties have been studied extensively, however little is known about their mechanical properties and their optical response under deformation. We demonstrated a mechanochromic effect by deforming the scales of a weevil and calculated the elastic, optical and mechanochromic (assuming homogeneous deformation) properties of the three types of bicontinuous cubic structures occurring in nature: P-structure (primitive), G-structure (gyroid) and D-structure (diamond). The results show that all investigated properties of these three structure types strongly depend on their geometry, structural parameters such as volume fractions of the two constituting phases and the directions of the incident light or applied stress, respectively. Interestingly, the mechanochromic simulation results predict that these structures may show blue-shift or even red-shift under compression along certain directions. Our results provide design guidelines for mechanochromic sensing materials operating in the elastic regime, including parameters such as sensitivity and direction of spectral shift.

Ab initio identified design principles of solid-solution strengthening in Al

Abstract Solid-solution strengthening in six Al–X binary systems is investigated using first-principle methods. The volumetric mismatch parameter and the solubility enthalpy per solute were calculated. We derive three rules for designing solid-solution strengthened alloys: (i) the solubility enthalpy per solute is related to the volumetric mismatch by a power law; (ii) for each annealing temperature, there exists an optimal solute–volume mismatch to achieve maximum strength; and (iii) the strengthening potential of high volumetric mismatch solutes is severely limited by their low solubility. Our results thus show that the thermodynamic properties of the system (here Al–X alloys) set clear upper bounds to the achievable strengthening effects owing to the reduced solubility with increasing volume mismatch.

Self‐Assembled Monolayers: Star‐Shaped Crystallographic Cracking of Localized Nanoporous Defects (Adv. Mater. 33/2015)

On page 4877, F. U. Renner, A. Bashir, M. Valtiner, and co-workers describe a star-like dealloying corrosion morphology that appears during the localized attack of smooth well-prepared Cu-Au surfaces. The surfaces are initially protected by thiol or selenol inhibitior films. Localized dealloying of Cu-Au produces nanoporous gold under stress and crystallographic cracks - thereby opening a new approach combining surface science with nanoscale mechanical testing.