We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully-penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is known to yield cluster crystal phases for the corresponding monodisperse systems. Because of the dispersity in the particle size, the systems investigated in this work do not crystallize and form disordered cluster phases. The clustering transition appears as a smooth crossover to a regime in which particles are mostly located in clusters, isolated particles being infrequent. The analysis of the internal cluster structure reveals microsegregation of the big and small particles, with a strong homo-coordination in the binary mixture. Upon further lowering the temperature below the clustering transition, the motion of the clusters' centers-of-mass slows down dramatically, giving way to a cluster glass transition. In the cluster glass, the diffusivities remain finite and display an activated temperature dependence, indicating that relaxation in the cluster glass occurs via particle hopping in a nearly arrested matrix of clusters. Finally we discuss the influence of the microscopic dynamics on the transport properties by comparing the MD results with Monte Carlo simulations.
We numerically investigate slow dynamics of a binary mixture of ultrasoft particles interacting with the generalized Hertzian potential. If the softness parameter, $α$, is small, the particles at high densities start penetrating each other, form clusters, and eventually undergo the glass transition. We find multiple cluster-glass phases characterized by different number of particles per cluster, whose boundary lines are sharply separated by the cluster size. Anomalous logarithmic slow relaxation of the density correlation functions is observed in the vicinity of these glass-glass phase boundar…
Monodisperse ensembles of particles that have cluster crystalline phases at low temperatures can model a number of physical systems, such as vortices in type-1.5 superconductors, colloidal suspensions and cold atoms. In this work we study a two-dimensional cluster-forming particle system interacting via an ultrasoft potential. We present a simple mean-field characterization of the cluster-crystal ground state, corroborating with Monte Carlo simulations for a wide range of densities. The efficiency of several Monte Carlo algorithms are compared and the challenges of thermal equilibrium sampling…
Sheared multi-component bulk metallic glasses are characterized by both chemical and structural disorder that define their properties. We investigate the behavior of the local, microstructural elastic modulus across the plastic yielding transition in six Ni-based multi-component glasses, that are characterized by compositional features commonly associated with solid solution formability. We find that elastic modulus fluctuations display consistent percolation characteristics pointing towards universal behavior across chemical compositions and overall yielding sharpness characteristics. Elastic…
We study numerically the glass formation and depinning transition of a system of two-dimensional cluster-forming monodisperse particles in presence of pinning disorder. The pairwise interaction potential is nonmonotonic, and is motivated by the intervortex forces in type-$1.5$ superconductors. Such systems can form cluster glasses due to the intervortex interactions following a thermal quench, without underlying disorder. We study the effects of vortex pinning in these systems. We find that a small density of pinning centers of moderate depth has limited effect on vortex glass formation, i.e.,…
We study numerically the yielding transition of a two dimensional model glass subjected to athermal quasi-static cyclic shear deformation, with the aim of investigating the effect on the yielding behaviour of the degree of annealing, which in turn depends on the preparation protocol. We find two distinct regimes of annealing separated by a threshold energy. Poorly annealed glasses progressively evolve towards the threshold energy as the strain amplitude is increased towards the yielding value. Well annealed glasses with initial energies below the threshold energy exhibit stable behaviour, with…
Avalanche behaviors, characterized by power-law statistics and structural relaxation that induces shear localization in amorphous plasticity, play an essential role in deciding the mechanical properties of amorphous metallic solids (i.e., metallic glasses). However, their interdependence is still not fully understood. To investigate the influence of structural relaxation on elementary avalanche behavior, we perform molecular-dynamics simulations for the shear deformation test of metallic glasses using two typical metallic-glass models comprising a less-relaxed (as-quenched) glass and a well-re…
We investigate avalanches associated with plastic rearrangements and the nature of structural change in the prototypical strong glass, silica, computationally. Although qualitative aspects of yielding in silica are similar to other glasses, we find that the statistics of avalanches exhibits non-trivial behaviour. Investigating the statistics of avalanches and clusters in detail, we propose and verify a new relation between exponents characterizing the size distribution of avalanches and clusters. Across the yielding transition, anomalous structural change and densification, associated with a s…
The influence of strain amplitude, glass stability and thermal fluctuations on shear band formation and yielding transition is studied using molecular dynamics simulations. The model binary mixture is first gradually cooled below the glass transition temperature and then periodically deformed to access a broad range of potential energy states. We find that the critical strain amplitude becomes larger for highly annealed glasses within about one thousand shear cycles. Moreover, upon continued loading at a fixed strain amplitude, the yielding transition is delayed in glasses mechanically anneale…
The effect of cyclic loading on relaxation dynamics and mechanical properties of metallic glasses is studied using molecular dynamics simulations. We consider the Kob-Andersen three-dimensional binary mixture rapidly cooled across the glass transition and subjected to thousands of tension-compression cycles in the elastic range. It was found that during cyclic loading at constant pressure, the system is relocated to progressively lower levels of the potential energy, thus promoting greater densification and higher strength. Furthermore, with increasing stress amplitude, the average glass densi…
Non-equilibrium molecular dynamics simulations are performed to investigate the dynamic behavior of three-dimensional binary glasses prepared via an instantaneous quench across the glass transition. We found that with increasing strain amplitude up to a critical value, the potential energy approaches lower minima in steady state, whereas the amplitude of shear stress oscillations becomes larger. Below the yielding transition, the storage modulus dominates the mechanical response, and the gradual decay of the potential energy over consecutive cycles is accompanied by reduction in size of transi…
The influence of static stress and alternating loading direction on the potential energy and mechanical properties of amorphous alloys is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture which is first slowly annealed well below the glass transition temperature and then subjected to elastostatic loading either along a single direction or along two and three alternating directions. We find that at sufficiently large values of the static stress, the binary glass becomes rejuvenated via collective, irreversible rearrangements of atoms. Upon in…
The effect of periodic shear on strain localization in disordered solids is investigated using molecular dynamics simulations. We consider a binary mixture of one million atoms annealed to a low temperature with different cooling rates and then subjected to oscillatory shear deformation with a strain amplitude slightly above the critical value. It is found that the yielding transition occurs during one cycle but the accumulation of irreversible displacements and initiation of the shear band proceed over larger number of cycles for more slowly annealed glasses. The spatial distribution and corr…
