Normal Load and Counter Body Size Influence the Initiation of Microstructural Discontinuities in Copper during Sliding.

Near the interface of two contacting metallic bodies in relative motion, the microstructure changes. This modified microstructure leads to changes in material properties and thereby influences the tribological behavior of the entire contact. Tribological properties such as the friction coefficient and wear rate are controlled by the microstructure, while the elementary mechanisms for microstructural changes are not sufficiently understood. In this paper, the influence of the normal load and the size of the counter body on the initiation of a tribologically induced microstructure in copper after a single sliding pass is revealed. A systematic variation in the normal load and sphere diameter resulted in maximum Hertzian contact pressures between 530 MPa and 1953 MPa. Scanning electron microscopy, focused ion beam, and transmission electron microscopy were used to probe the subsurface deformation. Irrespective of the normal load and the sphere diameter, a sharp line-like feature consisting of dislocations, the so-called dislocation trace line, was identified in the subsurface area at depths between 100 nm and 400 nm. For normal loads below 6.75 N, dislocation features are formed below this line. For higher normal loads, the microstructure evolution directly underneath the surface is mainly confined to the area between the sample surface and the dislocation trace line, which itself is located at increasing depth. Transmission Kikuchi diffraction and transmission electron microscopy demonstrate that the misorientation is predominantly concentrated at the dislocation trace line. The results disclose a material rotation around axes roughly parallel to the transverse direction. This study demonstrates the generality of the trace line phenomena over a wide range of loads and contact pressures and the complexity of subsurface processes under a sliding contact and provides the basis for modeling the early stages in the microstructure evolution.

Repulsion leads to coupled dislocation motion and extended work hardening in bcc metals.

Work hardening in bcc single crystals at low homologous temperature shows a strong orientation-dependent hardening for high symmetry loading, which is not captured by classical dislocation density based models. We demonstrate here that the high activation barrier for screw dislocation glide motion in tungsten results in repulsive interactions between screw dislocations, and triggers dislocation motion at applied loading conditions where it is not expected. In situ transmission electron microscopy and atomistically informed discrete dislocation dynamics simulations confirm coupled dislocation motion and vanishing obstacle strength for repulsive screw dislocations, compatible with the kink pair mechanism of dislocation motion in the thermally activated (low temperature) regime. We implement this additional contribution to plastic strain in a modified crystal plasticity framework and show that it can explain the extended work hardening regime observed for [100] oriented tungsten single crystal. This may contribute to better understanding the increase in ductility of highly deformed bcc metals.

Early deformation mechanisms in the shear affected region underneath a copper sliding contact.

Dislocation mediated plastic deformation decisively influences the friction coefficient and the microstructural changes at many metal sliding interfaces during tribological loading. This work explores the initiation of a tribologically induced microstructure in the vicinity of a copper twin boundary. Two distinct horizontal dislocation traces lines (DTL) are observed in their interaction with the twin boundary beneath the sliding interface. DTL formation seems unaffected by the presence of the twin boundary but the twin boundary acts as an indicator of the occurring deformation mechanisms. Three concurrent elementary processes can be identified: simple shear of the subsurface area in sliding direction, localized shear at the primary DTL and crystal rotation in the layers above and between the DTLs around axes parallel to the transverse direction. Crystal orientation analysis demonstrates a strong compatibility of these proposed processes. Quantitatively separating these different deformation mechanisms is crucial for future predictive modeling of tribological contacts.

New Twists of 3D Chiral Metamaterials.

Rationally designed artificial materials, called metamaterials, allow for tailoring effective material properties beyond ("meta") the properties of their bulk ingredient materials. This statement is especially true for chiral metamaterials, as unlocking certain degrees of freedom necessarily requires broken centrosymmetry. While the field of chiral electromagnetic/optical metamaterials has become rather mature, the field of elastic/mechanical metamaterials is just emerging and wide open. This research news reviews recent theoretical and experimental progress concerning 3D chiral mechanical and optical metamaterials, with special emphasis on work performed at KIT.

Origin of anomalous slip in tungsten.

Low-temperature deformation of body-centered cubic metals shows a significant amount of plastic slip on planes with low shear stresses, a phenomenon called anomalous slip. Despite progress in atomistic modeling of the consequences of complex stress states on dislocation mobility, the phenomenon of anomalous slip remained elusive. Using in situ Laue microdiffraction and discrete dislocation dynamics in micrometer sized tungsten single crystals, we demonstrate the occurrence of significant anomalous slip. It occurs as a consequence of cross kinks, topological configurations generated by prior dislocation interactions. This clearly identifies anomalous slip as a multidislocation process and not a property of isolated dislocations. The cross-kink mechanism also explains the ambiguous reporting of anomalous slip traces in the past and directs us to ways of including anomalous slip in continuum crystal plasticity formulations.

Magnetic bond-order potential for iron.

We present a magnetic bond-order potential (BOP) that is able to provide a correct description of both directional covalent bonds and magnetic interactions in iron. This potential, based on the tight binding approximation and the Stoner model of itinerant magnetism, forms a direct bridge between the electronic-structure and the atomistic modeling hierarchies. Even though BOP calculations are computationally more demanding than those using common empirical potentials, the formalism can be used for studies of complex defect configurations in large atomic ensembles exceeding 10(5) atoms. Our studies of dislocations in α-Fe demonstrate that correct descriptions of directional covalent bonds and magnetism are crucial for a reliable modeling of these defects.

Phonon emission induced dynamic fracture phenomena.

We use molecular dynamics simulations to calculate the phonon energy emitted during rapid crack propagation in brittle crystals. We show that this energy is different for different crack planes and propagation directions and that it is responsible for various phenomena at several length scales: energetically preferred crack systems and crack deflection at the atomic scale, reduced maximum crack speed with volume at the micrometer scale, and the inability of a crack to attain the theoretical limiting speed at the macroscale. We propose to include the contribution of this energy in the Freund equation of motion of a dynamically propagating crack.

Anticrack nucleation as triggering mechanism for snow slab avalanches.

Snow slab avalanches are believed to begin by the gravity-driven shear failure of weak layers in stratified snow. The critical crack length for shear crack propagation along such layers should increase without bound as the slope decreases. However, recent experiments show that the critical length of artificially introduced cracks remains constant or, if anything, slightly decreases with decreasing slope. This surprising observation can be understood in terms of volumetric collapse of the weak layer during failure, resulting in the formation and propagation of mixed-mode anticracks, which are driven simultaneously by slope-parallel and slope-normal components of gravity. Such fractures may propagate even if crack-face friction impedes downhill sliding of the snowpack, indicating a scenario in which two separate conditions have to be met for slab avalanche release.

Understanding of the phase transformation from fullerite to amorphous carbon at the microscopic level.

We study the shock-induced phase transformation from fullerite to a dense amorphous carbon phase by tight-binding molecular dynamics. For increasing hydrostatic pressures P, the C60 cages are found to polymerize at P<10 GPa, to break at P approximately 40 GPa, and to slowly collapse further at P>40 GPa. By contrast, in the presence of additional shear stresses, the cages are destroyed at much lower pressures (P<30 GPa). We explain this fact in terms of a continuum model, the snap-through instability of a spherical shell. Surprisingly, the relaxed high-density structures display no intermediate-range order.

Colour-coded duplex sonography of the testes of dogs.

Colour-coded duplex sonography was used to examine the testes of 42 dogs whose testes were normal on clinical examination. With colour Doppler, the blood flow in the supratesticular region could be displayed clearly in 70 per cent of the cases, independent of the dog's age, bodyweight, pulse rate and the volume of its testes. The marginal artery could be displayed clearly in 56 per cent of the cases, and the clarity was correlated with bodyweight (P<0.001), testicular volume (P<0.001), and pulse rate (P<0.001). The intratesticular blood flow could not be discerned in 42 per cent of the cases. With pulsed Doppler, the mean resistive index (RI) in the supratesticular region was 0.57, and the mean pulsatility index (PI) was 1.00. In the marginal artery, the mean RI was 0.49, and mean PI was 0.78. In the intratesticular arteries, the mean RI was 0.47, and the mean PI was 0.75. At all three sites both indices were independent of age, bodyweight, pulse rate and testicular volume.

Melting mechanisms at the limit of superheating.

The atomic-scale details during melting of a surface-free Lennard-Jones crystal were monitored using molecular dynamics simulations. Melting occurs when the superheated crystal spontaneously generates a sufficiently large number of spatially correlated destabilized particles that simultaneously satisfy the Lindemann and Born instability criteria. The accumulation and coalescence of these internal local lattice instabilities constitute the primary mechanism for homogeneous melt nucleation inside the crystal, in lieu of surface nucleation for equilibrium melting. The vibrational and elastic lattice instability criteria as well as the homogeneous nucleation theory all coincide in determining the superheating limit.

Plasticity and an inverse brittle-to-ductile transition in strontium titanate.

The use of ceramic materials is often restricted by a transition from ductile behavior to brittle fracture with decreasing temperature. For example, strontium titanate ( SrTiO3) is known to be extremely fragile and brittle below 1300 K. It is therefore surprising to find that SrTiO3 single crystals can be deformed in compression below 1050 K again. Extensive plastic deformation up to 7% strain at low yield stresses of the order of only 120 MPa is possible at room temperature. Low temperature plasticity is carried by the same [110] [110] dislocations as the high temperature deformation along the [001] axis. From this we conclude that these dislocations must exist in two different core configurations.

Alloying effects on electromigration mass transport.

Small amounts of alloying elements can significantly retard electromigration in conductor lines. This phenomenon is experimentally well established but is still lacking a fundamental explanation. An atomic-level mechanism for this behavior is proposed here which is based on a kinetic analysis of diffusion in crystalline interfaces. It predicts a reduction or reversal of the flux of host atoms for physically reasonable parameters and can account for the observed effect of copper on electromigration in aluminum conductor lines.

Directional anisotropy in the cleavage fracture of silicon

Total-energy pseudopotential calculations are used to study the cleavage anisotropy in silicon. It is shown that cracks propagate easily on 111 and 110 planes provided crack propagation proceeds in the <1;10> direction. In contrast, if the crack is driven in a <001> direction on a 110 plane the bond breaking process is discontinuous and associated with pronounced relaxations of the surrounding atoms, which results in a large lattice trapping. The different lattice trapping for different crack propagation directions can explain the experimentally observed cleavage anisotropy in silicon single crystals.

Energy dissipation and path instabilities in dynamic fracture of silicon single crystals

Brittle fracture usually proceeds at crack driving forces which are larger than those needed to create the new fracture surfaces. This surplus can lead to faster crack propagation or to the onset of additional dissipation mechanisms. Dynamic fracture experiments on silicon single crystals reported here show several distinct transitions between different dissipation mechanisms. Cleavage fracture is followed by the propagation of a faceted crack front, which is finally followed by a path instability and the propagation of multiple cracks. The fracture surface qualitatively corresponds to the mirror, mist, and hackle morphology of amorphous materials. However, the corresponding fracture mechanisms, which remain largely unknown in the amorphous materials, can clearly be identified here.

Dislocations faster than the speed of sound

It is thought that dislocations cannot surpass the sound barrier at the shear wave velocity because the energy spent in radiation has a singularity there. Atomistic simulations show that dislocations can move faster than the speed of sound if they are created as supersonic dislocations at a strong stress concentration and are subjected to high shear stresses. This behavior is important for the understanding of low-temperature deformation processes such as mechanical twinning and may be relevant for the dynamics of tectonic faults. The motion of the dislocations at a speed of 2 times the shear wave velocity can be understood from a linear elastic analysis, but many of the peculiarities of the supersonic dislocations are dominated by nonlinear effects that require a realistic atomistic description.

Controlling factors for the brittle-to-ductile transition in tungsten single crystals

Materials performance in structural applications is often restricted by a transition from ductile response to brittle fracture with decreasing temperature. This transition is currently viewed as being controlled either by dislocation mobility or by the nucleation of dislocations. Fracture experiments on tungsten single crystals reported here provide evidence for the importance of dislocation nucleation for the fracture toughness in the semibrittle regime. However, it is shown that the transition itself, in general, is controlled by dislocation mobility rather than by nucleation.