arXiv subjects

Tobias Brink

Publications and source records attributed to Tobias Brink.

27 records · Page 2Linked to original sources

arXiv2019

Adhesive wear and interaction of tangentially loaded micro-contacts

Current engineering wear models are often based on empirical parameters rather than built upon physical considerations. Here, we look for a physical description of adhesive wear at the microscale, at which the interaction between two surfaces comes down to the contact of asperities. Recent theoretical work has shown that there is a critical micro-contact size above which it becomes energetically favorable to form a wear particle. We extend this model by taking into consideration the elastic interaction of multiple closely-spaced micro-contacts in 2D, with different sizes and separation distances. Fundamental contact mechanics solutions are used to evaluate the elastic energy stored by shearing the micro-contacts, and the stored energy is compared to the energy needed to detach a single joined debris particle or multiple debris particles under the micro-contacts. Molecular dynamics simulations are used to test the predictions of the outcome for various sets of parameters. Our model provides simple criteria to evaluate the energetic feasibility of the different wear formation scenarios. Those criteria can be used to rationalize the transition between mild and severe wear regimes and help define the notion of asperity.

cond-mat.soft↗

arXiv2019

Adhesive wear mechanisms in the presence of weak interfaces: Insights from an amorphous model system

Engineering wear models are generally empirical and lack connections to the physical processes of debris generation at the nanoscale to microscale. Here, we thus analyze wear particle formation for sliding interfaces in dry contact with full and reduced adhesion. Depending on the material and interface properties and the local slopes of the surfaces, we find that colliding surface asperities can either deform plastically, form wear particles, or slip along the contact junction surface without significant damage. We propose a mechanism map as a function of material properties and local geometry, and confirm it using quasi-two-dimensional and three-dimensional molecular dynamics and finite-element simulations on an amorphous, siliconlike model material. The framework developed in the present paper conceptually ties the regimes of weak and strong interfacial adhesion together and can explain that even unlubricated sliding contacts do not necessarily lead to catastrophic wear rates. A salient result of the present paper is an analytical expression of a critical length scale, which incorporates interface properties and roughness parameters. Therefore, our findings provide a theoretical framework and a quantitative map to predict deformation mechanisms at individual contacts. In particular, contact junctions of sizes above the critical length scale contribute to the debris formation.

cond-mat.mtrl-sci↗

arXiv2018

Interface-controlled creep in metallic glass composites

In this work we present molecular dynamics simulations on the creep behavior of $\rm Cu_{64}Zr_{36}$ metallic glass composites. Surprisingly, all composites exhibit much higher creep rates than the homogeneous glass. The glass-crystal interface can be viewed as a weak interphase, where the activation barrier of shear transformation zones is lower than in the surrounding glass. We observe that the creep behavior of the composites does not only depend on the interface area but also on the orientation of the interface with respect to the loading axis. We propose an explanation in terms of different mean Schmid factors of the interfaces, with the amorphous interface regions acting as preferential slip sites.

cond-mat.mtrl-sci↗

arXiv2018

From metallic glasses to nanocrystals: Molecular dynamics simulations on the crossover from glass-like to grain-boundary-mediated deformation behaviour

Nanocrystalline metals contain a large fraction of high-energy grain boundaries, which may be considered as glassy phases. Consequently, with decreasing grain size, a crossover in the deformation behaviour of nanocrystals to that of metallic glasses has been proposed. Here, we study this crossover using molecular dynamics simulations on bulk glasses, glass-crystal nanocomposites, and nanocrystals of Cu64Zr36 with varying crystalline volume fractions induced by long-time thermal annealing. We find that the grain boundary phase behaves like a metallic glass under constraint from the abutting crystallites. The transition from glass-like to grain-boundary-mediated plasticity can be classified into three regimes: (1) For low crystalline volume fractions, the system resembles a glass-crystal composite and plastic flow is localised in the amorphous phase; (2) with increasing crystalline volume fraction, clusters of crystallites become jammed and the mechanical response depends critically on the relaxation state of the glassy grain boundaries; (3) at grain sizes $\geq$ 10 nm, the system is jammed completely, prohibiting pure grain-boundary plasticity and instead leading to co-deformation. We observe an inverse Hall-Petch effect only in the second regime when the grain boundary is not deeply relaxed. Experimental results with different grain boundary states are therefore not directly comparable in this regime.

cond-mat.mtrl-sci↗

arXiv2017

Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system

We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme a model alloy is generated which is thermodynamically stabilized by configurational entropy at elevated temperatures, but partly decomposes at lower temperatures by copper precipation. Both the high-entropy and the multiphase sample are then subjected to simulated particle irradiation. The damage accumulation is analyzed and compared to an elemental Ni reference system. The results reveal that the high-entropy alloy---independent of the initial configuration---installs a certain fraction of short-range order even under particle irradiation. Moreover, the results provide evidence that defect accumulation is reduced in the high-entropy alloy. This is because the reduced mobility of point defects leads to a steady state of defect creation and annihilation. The lattice defects generated by irradiation are shown to act as sinks for Cu segregation.

cond-mat.mtrl-sci↗

arXiv2016

Structural origins of the boson peak in metals: From high-entropy alloys to metallic glasses

The boson peak appears in all amorphous solids and is an excess of vibrational states at low frequencies compared to the phonon spectrum of the corresponding crystal. Until recently, the consensus was that it originated from "defects" in the glass. The nature of these defects is still under discussion, but the picture of regions with locally disturbed short-range order and/or decreased elastic constants has gained some traction. Recently, a different theory was proposed: The boson peak was attributed to the first van Hove singularity of crystal lattices which is only smeared out by the disorder. This new viewpoint assumes that the van Hove singularity is simply shifted by the decreased density of the amorphous state and is therefore not a glass-specific anomaly. In order to resolve this issue, we use computer models of a four-component alloy, alternatively with chemical disorder (high-entropy alloy), structural disorder, and reduced density. Comparison to a reference glass of the same composition reveals that the boson peak consists of additional vibrational modes which can be induced solely by structural disorder. While chemical disorder introduces fluctuations of the elastic constants, we find that those do not lead to sufficient local softening to induce these modes. A boson peak due to a reduction of density could be excluded for the present metallic system.

cond-mat.mtrl-sci↗

arXiv2016

Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr Based Metallic Glasses

The interaction of shear bands with crystalline nanoprecipitates in Cu-Zr-based metallic glasses is investigated by a combination of high-resolution TEM imaging and molecular-dynamics computer simulations. Our results reveal different interaction mechanisms: Shear bands can dissolve precipitates, can wrap around crystalline obstacles, or can be blocked depending on size and density of the precipitates. If the crystalline phase has a low yield strength, we also observe slip transfer through the precipitate. Based on the computational results and experimental findings, a qualitative mechanism map is proposed that categorizes the various processes as a function of the critical stress for dislocation nucleation, precipitate size, and distance.

cond-mat.mtrl-sci↗

arXiv2015

Solid-state amorphization of Cu nanolayers embedded in a Cu64Zr36 glass

Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is driven by a reduction of interface energy, which compensates the bulk excess energy of the amorphous nanolayer with respect to the crystalline phase up to a critical layer thickness. A simple thermodynamic model is derived, which describes the simulation results in terms of orientation-dependent interface energies. Detailed analysis reveals the structure of the amorphous nanolayer and allows a comparison to a quenched copper melt, providing further insights into the origin of excess and interface energy.

cond-mat.mtrl-sci↗

arXiv2014

Low temperature heat capacity of severely deformed metallic glass

The low temperature heat capacity of amorphous materials reveals a low-frequency enhancement (boson peak) of the vibrational density of states, as compared with the Debye law. By measuring the low-temperature heat capacity of a Zr-based bulk metallic glass relative to a crystalline reference state, we show that the heat capacity of the glass is strongly enhanced after severe plastic deformation by high-pressure torsion, while subsequent thermal annealing at elevated temperatures leads to a significant reduction. The detailed analysis of corresponding molecular dynamics simulations of an amorphous Zr-Cu glass shows that the change in heat capacity is primarily due to enhanced low-frequency modes within the shear band region.

cond-mat.mtrl-sci↗